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Update README and add additional benchmarking logs

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  1. README.md +184 -18
  2. logs_modchembert_classification_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_antimalarial_epochs100_batch_size32_20250925_224136.log +365 -0
  3. logs_modchembert_classification_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_cocrystal_epochs100_batch_size32_20250926_032547.log +349 -0
  4. logs_modchembert_classification_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_covid19_epochs100_batch_size32_20250925_210846.log +327 -0
  5. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_microsom_stab_h_epochs100_batch_size32_20250926_053842.log +359 -0
  6. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_microsom_stab_r_epochs100_batch_size32_20250926_061544.log +323 -0
  7. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_permeability_epochs100_batch_size32_20250926_070028.log +343 -0
  8. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_ppb_h_epochs100_batch_size32_20250926_075041.log +315 -0
  9. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_ppb_r_epochs100_batch_size32_20250926_080329.log +329 -0
  10. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_solubility_epochs100_batch_size32_20250926_081611.log +343 -0
  11. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_cl_epochs100_batch_size32_20250926_091752.log +317 -0
  12. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_logd74_epochs100_batch_size32_20250926_100505.log +407 -0
  13. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_ppb_epochs100_batch_size32_20250926_121436.log +327 -0
  14. logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_solubility_epochs100_batch_size32_20250926_131505.log +355 -0
README.md CHANGED
@@ -118,6 +118,123 @@ model-index:
118
  metrics:
119
  - type: rmse
120
  value: 0.6820
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
121
  ---
122
 
123
  # ModChemBERT: ModernBERT as a Chemical Language Model
@@ -159,10 +276,10 @@ print(fill("c1ccccc1[MASK]"))
159
  - Encoder Layers: 22
160
  - Attention heads: 12
161
  - Max sequence length: 256 tokens (MLM primarily trained with 128-token sequences)
162
- - Vocabulary: BPE tokenizer using [MolFormer's vocab](https://github.com/emapco/ModChemBERT/blob/main/modchembert/tokenizers/molformer/vocab.json) (2362 tokens)
163
 
164
  ## Pooling (Classifier / Regressor Head)
165
- Kallergis et al. [1] demonstrated that the CLM embedding method prior to the prediction head can significantly impact downstream performance.
166
 
167
  Behrendt et al. [2] noted that the last few layers contain task-specific information and that pooling methods leveraging information from multiple layers can enhance model performance. Their results further demonstrated that the `max_seq_mha` pooling method was particularly effective in low-data regimes, which is often the case for molecular property prediction tasks.
168
 
@@ -178,6 +295,9 @@ Multiple pooling strategies are supported by ModChemBERT to explore their impact
178
  - `mean_sum`: Mean over all layers then sum tokens
179
  - `max_seq_mean`: Max over last k layers then mean tokens
180
 
 
 
 
181
  ## Training Pipeline
182
  <div align="center">
183
  <img src="https://cdn-uploads.huggingface.co/production/uploads/656892962693fa22e18b5331/bxNbpgMkU8m60ypyEJoWQ.png" alt="ModChemBERT Training Pipeline" width="650"/>
@@ -190,23 +310,33 @@ Following Sultan et al. [3], multi-task regression (physicochemical properties)
190
  Inspired by ModernBERT [4], JaColBERTv2.5 [5], and Llama 3.1 [6], where results show that model merging can enhance generalization or performance while mitigating overfitting to any single fine-tune or annealing checkpoint.
191
 
192
  ## Datasets
193
- - Pretraining: [Derify/augmented_canonical_druglike_QED_Pfizer_15M](https://huggingface.co/datasets/Derify/augmented_canonical_druglike_QED_Pfizer_15M)
194
- - Domain Adaptive Pretraining (DAPT) & Task Adaptive Fine-tuning (TAFT): ADME + AstraZeneca datasets (10 tasks) with scaffold splits from DA4MT pipeline (see [domain-adaptation-molecular-transformers](https://github.com/emapco/ModChemBERT/tree/main/domain-adaptation-molecular-transformers))
195
- - Benchmarking: ChemBERTa-3 [7] tasks (BACE, BBBP, TOX21, HIV, SIDER, CLINTOX for classification; ESOL, FREESOLV, LIPO, BACE, CLEARANCE for regression)
 
 
 
 
 
 
 
 
196
 
197
  ## Benchmarking
198
- Benchmarks were conducted with the ChemBERTa-3 framework using DeepChem scaffold splits. Each task was trained for 100 epochs with 3 random seeds.
 
 
199
 
200
  ### Evaluation Methodology
201
- - Classification Metric: ROC AUC.
202
- - Regression Metric: RMSE.
203
  - Aggregation: Mean ± standard deviation of the triplicate results.
204
- - Input Constraints: SMILES truncated / filtered to ≤200 tokens, following the MolFormer paper's recommendation.
205
 
206
  ### Results
207
  <details><summary>Click to expand</summary>
208
 
209
- #### Classification Datasets (ROC AUC - Higher is better)
210
 
211
  | Model | BACE↑ | BBBP↑ | CLINTOX↑ | HIV↑ | SIDER↑ | TOX21↑ | AVG† |
212
  | ---------------------------------------------------------------------------- | ----------------- | ----------------- | --------------------- | --------------------- | --------------------- | ----------------- | ------ |
@@ -214,14 +344,14 @@ Benchmarks were conducted with the ChemBERTa-3 framework using DeepChem scaffold
214
  | [ChemBERTa-100M-MLM](https://huggingface.co/DeepChem/ChemBERTa-100M-MLM)* | 0.781 ± 0.019 | 0.700 ± 0.027 | 0.979 ± 0.022 | 0.740 ± 0.013 | 0.611 ± 0.002 | 0.718 ± 0.011 | 0.7548 |
215
  | [c3-MoLFormer-1.1B](https://huggingface.co/DeepChem/MoLFormer-c3-1.1B)* | 0.819 ± 0.019 | 0.735 ± 0.019 | 0.839 ± 0.013 | 0.762 ± 0.005 | 0.618 ± 0.005 | 0.723 ± 0.012 | 0.7493 |
216
  | MoLFormer-LHPC* | **0.887 ± 0.004** | **0.908 ± 0.013** | 0.993 ± 0.004 | 0.750 ± 0.003 | 0.622 ± 0.007 | **0.791 ± 0.014** | 0.8252 |
217
- | ------------------------- | ----------------- | ----------------- | ------------------- | ------------------- | ------------------- | ----------------- | ------ |
218
  | [MLM](https://huggingface.co/Derify/ModChemBERT-MLM) | 0.8065 ± 0.0103 | 0.7222 ± 0.0150 | 0.9709 ± 0.0227 | ***0.7800 ± 0.0133*** | 0.6419 ± 0.0113 | 0.7400 ± 0.0044 | 0.7769 |
219
  | [MLM + DAPT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT) | 0.8224 ± 0.0156 | 0.7402 ± 0.0095 | 0.9820 ± 0.0138 | 0.7702 ± 0.0020 | 0.6303 ± 0.0039 | 0.7360 ± 0.0036 | 0.7802 |
220
  | [MLM + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-TAFT) | 0.7924 ± 0.0155 | 0.7282 ± 0.0058 | 0.9725 ± 0.0213 | 0.7770 ± 0.0047 | 0.6542 ± 0.0128 | *0.7646 ± 0.0039* | 0.7815 |
221
  | [MLM + DAPT + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT-TAFT) | 0.8213 ± 0.0051 | 0.7356 ± 0.0094 | 0.9664 ± 0.0202 | 0.7750 ± 0.0048 | 0.6415 ± 0.0094 | 0.7263 ± 0.0036 | 0.7777 |
222
  | [MLM + DAPT + TAFT OPT](https://huggingface.co/Derify/ModChemBERT) | *0.8346 ± 0.0045* | *0.7573 ± 0.0120* | ***0.9938 ± 0.0017*** | 0.7737 ± 0.0034 | ***0.6600 ± 0.0061*** | 0.7518 ± 0.0047 | 0.7952 |
223
 
224
- #### Regression Datasets (RMSE - Lower is better)
225
 
226
  | Model | BACE↓ | CLEARANCE↓ | ESOL↓ | FREESOLV↓ | LIPO↓ | AVG‡ |
227
  | ---------------------------------------------------------------------------- | --------------------- | ---------------------- | --------------------- | --------------------- | --------------------- | ---------------- |
@@ -229,17 +359,45 @@ Benchmarks were conducted with the ChemBERTa-3 framework using DeepChem scaffold
229
  | [ChemBERTa-100M-MLM](https://huggingface.co/DeepChem/ChemBERTa-100M-MLM)* | 1.011 ± 0.038 | 51.582 ± 3.079 | 0.920 ± 0.011 | 0.536 ± 0.016 | 0.758 ± 0.013 | 0.8063 / 10.9614 |
230
  | [c3-MoLFormer-1.1B](https://huggingface.co/DeepChem/MoLFormer-c3-1.1B)* | 1.094 ± 0.126 | 52.058 ± 2.767 | 0.829 ± 0.019 | 0.572 ± 0.023 | 0.728 ± 0.016 | 0.8058 / 11.0562 |
231
  | MoLFormer-LHPC* | 1.201 ± 0.100 | 45.74 ± 2.637 | 0.848 ± 0.031 | 0.683 ± 0.040 | 0.895 ± 0.080 | 0.9068 / 9.8734 |
232
- | ------------------------- | ------------------- | -------------------- | ------------------- | ------------------- | ------------------- | ---------------- |
233
  | [MLM](https://huggingface.co/Derify/ModChemBERT-MLM) | 1.0893 ± 0.1319 | 49.0005 ± 1.2787 | 0.8456 ± 0.0406 | 0.5491 ± 0.0134 | 0.7147 ± 0.0062 | 0.7997 / 10.4398 |
234
  | [MLM + DAPT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT) | 0.9931 ± 0.0258 | 45.4951 ± 0.7112 | 0.9319 ± 0.0153 | 0.6049 ± 0.0666 | 0.6874 ± 0.0040 | 0.8043 / 9.7425 |
235
  | [MLM + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-TAFT) | 1.0304 ± 0.1146 | 47.8418 ± 0.4070 | ***0.7669 ± 0.0024*** | 0.5293 ± 0.0267 | 0.6708 ± 0.0074 | 0.7493 / 10.1678 |
236
  | [MLM + DAPT + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT-TAFT) | 0.9713 ± 0.0224 | ***42.8010 ± 3.3475*** | 0.8169 ± 0.0268 | 0.5445 ± 0.0257 | 0.6820 ± 0.0028 | 0.7537 / 9.1631 |
237
  | [MLM + DAPT + TAFT OPT](https://huggingface.co/Derify/ModChemBERT) | ***0.9665 ± 0.0250*** | 44.0137 ± 1.1110 | 0.8158 ± 0.0115 | ***0.4979 ± 0.0158*** | ***0.6505 ± 0.0126*** | 0.7327 / 9.3889 |
238
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
239
  **Bold** indicates the best result in the column; *italic* indicates the best result among ModChemBERT checkpoints.<br/>
240
  \* Published results from the ChemBERTa-3 [7] paper for optimized chemical language models using DeepChem scaffold splits.<br/>
241
- † AVG column shows the mean score across all classification tasks.<br/>
242
- ‡ AVG column shows the mean scores across all regression tasks without and with the clearance score.
243
 
244
  </details>
245
 
@@ -279,6 +437,9 @@ Optimal parameters (per dataset) for the `MLM + DAPT + TAFT OPT` merged model:
279
  | esol | 64 | sum_mean | N/A | 0.1 | 0.0 | 0.1 |
280
  | freesolv | 32 | max_seq_mha | 5 | 0.1 | 0.0 | 0.0 |
281
  | lipo | 32 | max_seq_mha | 3 | 0.1 | 0.1 | 0.1 |
 
 
 
282
 
283
  </details>
284
 
@@ -312,10 +473,15 @@ If you use ModChemBERT in your research, please cite the checkpoint and the foll
312
  ```
313
 
314
  ## References
315
- 1. Kallergis, Georgios, et al. "Domain adaptable language modeling of chemical compounds identifies potent pathoblockers for Pseudomonas aeruginosa." Communications Chemistry 8.1 (2025): 114.
316
  2. Behrendt, Maike, Stefan Sylvius Wagner, and Stefan Harmeling. "MaxPoolBERT: Enhancing BERT Classification via Layer-and Token-Wise Aggregation." arXiv preprint arXiv:2505.15696 (2025).
317
  3. Sultan, Afnan, et al. "Transformers for molecular property prediction: Domain adaptation efficiently improves performance." arXiv preprint arXiv:2503.03360 (2025).
318
  4. Warner, Benjamin, et al. "Smarter, better, faster, longer: A modern bidirectional encoder for fast, memory efficient, and long context finetuning and inference." arXiv preprint arXiv:2412.13663 (2024).
319
- 5. Clavié, Benjamin. "JaColBERTv2.5: Optimising Multi-Vector Retrievers to Create State-of-the-Art Japanese Retrievers with Constrained Resources." Journal of Natural Language Processing 32.1 (2025): 176-218.
320
  6. Grattafiori, Aaron, et al. "The llama 3 herd of models." arXiv preprint arXiv:2407.21783 (2024).
321
- 7. Singh, Riya, et al. "ChemBERTa-3: An Open Source Training Framework for Chemical Foundation Models." (2025).
 
 
 
 
 
 
118
  metrics:
119
  - type: rmse
120
  value: 0.6820
121
+ - task:
122
+ type: text-classification
123
+ name: Classification (ROC AUC)
124
+ dataset:
125
+ name: Antimalarial
126
+ type: Antimalarial
127
+ metrics:
128
+ - type: roc_auc
129
+ value: 0.8819
130
+ - task:
131
+ type: text-classification
132
+ name: Classification (ROC AUC)
133
+ dataset:
134
+ name: Cocrystal
135
+ type: Cocrystal
136
+ metrics:
137
+ - type: roc_auc
138
+ value: 0.8550
139
+ - task:
140
+ type: text-classification
141
+ name: Classification (ROC AUC)
142
+ dataset:
143
+ name: COVID19
144
+ type: COVID19
145
+ metrics:
146
+ - type: roc_auc
147
+ value: 0.8013
148
+ - task:
149
+ type: regression
150
+ name: Regression (RMSE)
151
+ dataset:
152
+ name: ADME microsom stab human
153
+ type: ADME
154
+ metrics:
155
+ - type: rmse
156
+ value: 0.4206
157
+ - task:
158
+ type: regression
159
+ name: Regression (RMSE)
160
+ dataset:
161
+ name: ADME microsom stab rat
162
+ type: ADME
163
+ metrics:
164
+ - type: rmse
165
+ value: 0.4400
166
+ - task:
167
+ type: regression
168
+ name: Regression (RMSE)
169
+ dataset:
170
+ name: ADME permeability
171
+ type: ADME
172
+ metrics:
173
+ - type: rmse
174
+ value: 0.4899
175
+ - task:
176
+ type: regression
177
+ name: Regression (RMSE)
178
+ dataset:
179
+ name: ADME ppb human
180
+ type: ADME
181
+ metrics:
182
+ - type: rmse
183
+ value: 0.8927
184
+ - task:
185
+ type: regression
186
+ name: Regression (RMSE)
187
+ dataset:
188
+ name: ADME ppb rat
189
+ type: ADME
190
+ metrics:
191
+ - type: rmse
192
+ value: 0.6942
193
+ - task:
194
+ type: regression
195
+ name: Regression (RMSE)
196
+ dataset:
197
+ name: ADME solubility
198
+ type: ADME
199
+ metrics:
200
+ - type: rmse
201
+ value: 0.4641
202
+ - task:
203
+ type: regression
204
+ name: Regression (RMSE)
205
+ dataset:
206
+ name: AstraZeneca CL
207
+ type: AstraZeneca
208
+ metrics:
209
+ - type: rmse
210
+ value: 0.5022
211
+ - task:
212
+ type: regression
213
+ name: Regression (RMSE)
214
+ dataset:
215
+ name: AstraZeneca LogD74
216
+ type: AstraZeneca
217
+ metrics:
218
+ - type: rmse
219
+ value: 0.7467
220
+ - task:
221
+ type: regression
222
+ name: Regression (RMSE)
223
+ dataset:
224
+ name: AstraZeneca PPB
225
+ type: AstraZeneca
226
+ metrics:
227
+ - type: rmse
228
+ value: 0.1195
229
+ - task:
230
+ type: regression
231
+ name: Regression (RMSE)
232
+ dataset:
233
+ name: AstraZeneca Solubility
234
+ type: AstraZeneca
235
+ metrics:
236
+ - type: rmse
237
+ value: 0.8564
238
  ---
239
 
240
  # ModChemBERT: ModernBERT as a Chemical Language Model
 
276
  - Encoder Layers: 22
277
  - Attention heads: 12
278
  - Max sequence length: 256 tokens (MLM primarily trained with 128-token sequences)
279
+ - Tokenizer: BPE tokenizer using [MolFormer's vocab](https://github.com/emapco/ModChemBERT/blob/main/modchembert/tokenizers/molformer/vocab.json) (2362 tokens)
280
 
281
  ## Pooling (Classifier / Regressor Head)
282
+ Kallergis et al. [1] demonstrated that the CLM embedding method prior to the prediction head was the strongest contributor to downstream performance among evaluated hyperparameters.
283
 
284
  Behrendt et al. [2] noted that the last few layers contain task-specific information and that pooling methods leveraging information from multiple layers can enhance model performance. Their results further demonstrated that the `max_seq_mha` pooling method was particularly effective in low-data regimes, which is often the case for molecular property prediction tasks.
285
 
 
295
  - `mean_sum`: Mean over all layers then sum tokens
296
  - `max_seq_mean`: Max over last k layers then mean tokens
297
 
298
+ Note: ModChemBERT’s `max_seq_mha` differs from MaxPoolBERT [2]. MaxPoolBERT uses PyTorch `nn.MultiheadAttention`, whereas ModChemBERT's `ModChemBertPoolingAttention` adapts ModernBERT’s `ModernBertAttention`.
299
+ On ChemBERTa-3 benchmarks this variant produced stronger validation metrics and avoided the training instabilities (sporadic zero / NaN losses and gradient norms) seen with `nn.MultiheadAttention`. Training instability with ModernBERT has been reported in the past ([discussion 1](https://huggingface.co/answerdotai/ModernBERT-base/discussions/59) and [discussion 2](https://huggingface.co/answerdotai/ModernBERT-base/discussions/63)).
300
+
301
  ## Training Pipeline
302
  <div align="center">
303
  <img src="https://cdn-uploads.huggingface.co/production/uploads/656892962693fa22e18b5331/bxNbpgMkU8m60ypyEJoWQ.png" alt="ModChemBERT Training Pipeline" width="650"/>
 
310
  Inspired by ModernBERT [4], JaColBERTv2.5 [5], and Llama 3.1 [6], where results show that model merging can enhance generalization or performance while mitigating overfitting to any single fine-tune or annealing checkpoint.
311
 
312
  ## Datasets
313
+ - Pretraining: [Derify/augmented_canonical_druglike_QED_Pfizer_15M](https://huggingface.co/datasets/Derify/augmented_canonical_druglike_QED_Pfizer_15M) (canonical_smiles column)
314
+ - Domain Adaptive Pretraining (DAPT) & Task Adaptive Fine-tuning (TAFT): ADME (6 tasks) + AstraZeneca (4 tasks) datasets that are split using DA4MT's [3] Bemis-Murcko scaffold splitter (see [domain-adaptation-molecular-transformers](https://github.com/emapco/ModChemBERT/blob/main/domain-adaptation-molecular-transformers/da4mt/splitting.py))
315
+ - Benchmarking:
316
+ - ChemBERTa-3 [7]
317
+ - classification: BACE, BBBP, TOX21, HIV, SIDER, CLINTOX
318
+ - regression: ESOL, FREESOLV, LIPO, BACE, CLEARANCE
319
+ - Mswahili, et al. [8] proposed additional datasets for benchmarking chemical language models:
320
+ - classification: Antimalarial [9], Cocrystal [10], COVID19 [11]
321
+ - DAPT/TAFT stage regression datasets:
322
+ - ADME [12]: adme_microsom_stab_h, adme_microsom_stab_r, adme_permeability, adme_ppb_h, adme_ppb_r, adme_solubility
323
+ - AstraZeneca: astrazeneca_CL, astrazeneca_LogD74, astrazeneca_PPB, astrazeneca_Solubility
324
 
325
  ## Benchmarking
326
+ Benchmarks were conducted using the ChemBERTa-3 framework. DeepChem scaffold splits were utilized for all datasets, with the exception of the Antimalarial dataset, which employed a random split. Each task was trained for 100 epochs, with results averaged across 3 random seeds.
327
+
328
+ The complete hyperparameter configurations for these benchmarks are available here: [ChemBERTa3 configs](https://github.com/emapco/ModChemBERT/tree/main/conf/chemberta3)
329
 
330
  ### Evaluation Methodology
331
+ - Classification Metric: ROC AUC
332
+ - Regression Metric: RMSE
333
  - Aggregation: Mean ± standard deviation of the triplicate results.
334
+ - Input Constraints: SMILES truncated / filtered to ≤200 tokens, following ChemBERTa-3's recommendation.
335
 
336
  ### Results
337
  <details><summary>Click to expand</summary>
338
 
339
+ #### ChemBERTa-3 Classification Datasets (ROC AUC - Higher is better)
340
 
341
  | Model | BACE↑ | BBBP↑ | CLINTOX↑ | HIV↑ | SIDER↑ | TOX21↑ | AVG† |
342
  | ---------------------------------------------------------------------------- | ----------------- | ----------------- | --------------------- | --------------------- | --------------------- | ----------------- | ------ |
 
344
  | [ChemBERTa-100M-MLM](https://huggingface.co/DeepChem/ChemBERTa-100M-MLM)* | 0.781 ± 0.019 | 0.700 ± 0.027 | 0.979 ± 0.022 | 0.740 ± 0.013 | 0.611 ± 0.002 | 0.718 ± 0.011 | 0.7548 |
345
  | [c3-MoLFormer-1.1B](https://huggingface.co/DeepChem/MoLFormer-c3-1.1B)* | 0.819 ± 0.019 | 0.735 ± 0.019 | 0.839 ± 0.013 | 0.762 ± 0.005 | 0.618 ± 0.005 | 0.723 ± 0.012 | 0.7493 |
346
  | MoLFormer-LHPC* | **0.887 ± 0.004** | **0.908 ± 0.013** | 0.993 ± 0.004 | 0.750 ± 0.003 | 0.622 ± 0.007 | **0.791 ± 0.014** | 0.8252 |
347
+ | | | | | | | | |
348
  | [MLM](https://huggingface.co/Derify/ModChemBERT-MLM) | 0.8065 ± 0.0103 | 0.7222 ± 0.0150 | 0.9709 ± 0.0227 | ***0.7800 ± 0.0133*** | 0.6419 ± 0.0113 | 0.7400 ± 0.0044 | 0.7769 |
349
  | [MLM + DAPT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT) | 0.8224 ± 0.0156 | 0.7402 ± 0.0095 | 0.9820 ± 0.0138 | 0.7702 ± 0.0020 | 0.6303 ± 0.0039 | 0.7360 ± 0.0036 | 0.7802 |
350
  | [MLM + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-TAFT) | 0.7924 ± 0.0155 | 0.7282 ± 0.0058 | 0.9725 ± 0.0213 | 0.7770 ± 0.0047 | 0.6542 ± 0.0128 | *0.7646 ± 0.0039* | 0.7815 |
351
  | [MLM + DAPT + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT-TAFT) | 0.8213 ± 0.0051 | 0.7356 ± 0.0094 | 0.9664 ± 0.0202 | 0.7750 ± 0.0048 | 0.6415 ± 0.0094 | 0.7263 ± 0.0036 | 0.7777 |
352
  | [MLM + DAPT + TAFT OPT](https://huggingface.co/Derify/ModChemBERT) | *0.8346 ± 0.0045* | *0.7573 ± 0.0120* | ***0.9938 ± 0.0017*** | 0.7737 ± 0.0034 | ***0.6600 ± 0.0061*** | 0.7518 ± 0.0047 | 0.7952 |
353
 
354
+ #### ChemBERTa-3 Regression Datasets (RMSE - Lower is better)
355
 
356
  | Model | BACE↓ | CLEARANCE↓ | ESOL↓ | FREESOLV↓ | LIPO↓ | AVG‡ |
357
  | ---------------------------------------------------------------------------- | --------------------- | ---------------------- | --------------------- | --------------------- | --------------------- | ---------------- |
 
359
  | [ChemBERTa-100M-MLM](https://huggingface.co/DeepChem/ChemBERTa-100M-MLM)* | 1.011 ± 0.038 | 51.582 ± 3.079 | 0.920 ± 0.011 | 0.536 ± 0.016 | 0.758 ± 0.013 | 0.8063 / 10.9614 |
360
  | [c3-MoLFormer-1.1B](https://huggingface.co/DeepChem/MoLFormer-c3-1.1B)* | 1.094 ± 0.126 | 52.058 ± 2.767 | 0.829 ± 0.019 | 0.572 ± 0.023 | 0.728 ± 0.016 | 0.8058 / 11.0562 |
361
  | MoLFormer-LHPC* | 1.201 ± 0.100 | 45.74 ± 2.637 | 0.848 ± 0.031 | 0.683 ± 0.040 | 0.895 ± 0.080 | 0.9068 / 9.8734 |
362
+ | | | | | | |
363
  | [MLM](https://huggingface.co/Derify/ModChemBERT-MLM) | 1.0893 ± 0.1319 | 49.0005 ± 1.2787 | 0.8456 ± 0.0406 | 0.5491 ± 0.0134 | 0.7147 ± 0.0062 | 0.7997 / 10.4398 |
364
  | [MLM + DAPT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT) | 0.9931 ± 0.0258 | 45.4951 ± 0.7112 | 0.9319 ± 0.0153 | 0.6049 ± 0.0666 | 0.6874 ± 0.0040 | 0.8043 / 9.7425 |
365
  | [MLM + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-TAFT) | 1.0304 ± 0.1146 | 47.8418 ± 0.4070 | ***0.7669 ± 0.0024*** | 0.5293 ± 0.0267 | 0.6708 ± 0.0074 | 0.7493 / 10.1678 |
366
  | [MLM + DAPT + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT-TAFT) | 0.9713 ± 0.0224 | ***42.8010 ± 3.3475*** | 0.8169 ± 0.0268 | 0.5445 ± 0.0257 | 0.6820 ± 0.0028 | 0.7537 / 9.1631 |
367
  | [MLM + DAPT + TAFT OPT](https://huggingface.co/Derify/ModChemBERT) | ***0.9665 ± 0.0250*** | 44.0137 ± 1.1110 | 0.8158 ± 0.0115 | ***0.4979 ± 0.0158*** | ***0.6505 ± 0.0126*** | 0.7327 / 9.3889 |
368
 
369
+ #### Mswahili, et al. [8] Proposed Classification Datasets (ROC AUC - Higher is better)
370
+
371
+ | Model | Antimalarial↑ | Cocrystal↑ | COVID19↑ | AVG† |
372
+ | ---------------------------------------------------------------------------- | --------------------- | --------------------- | --------------------- | ------ |
373
+ | **Tasks** | 1 | 1 | 1 | |
374
+ | [MLM](https://huggingface.co/Derify/ModChemBERT-MLM) | 0.8707 ± 0.0032 | 0.7967 ± 0.0124 | 0.8106 ± 0.0170 | 0.8260 |
375
+ | [MLM + DAPT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT) | 0.8756 ± 0.0056 | 0.8288 ± 0.0143 | 0.8029 ± 0.0159 | 0.8358 |
376
+ | [MLM + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-TAFT) | 0.8832 ± 0.0051 | 0.7866 ± 0.0204 | ***0.8308 ± 0.0026*** | 0.8335 |
377
+ | [MLM + DAPT + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT-TAFT) | 0.8819 ± 0.0052 | 0.8550 ± 0.0106 | 0.8013 ± 0.0118 | 0.8461 |
378
+ | [MLM + DAPT + TAFT OPT](https://huggingface.co/Derify/ModChemBERT) | ***0.8966 ± 0.0045*** | ***0.8654 ± 0.0080*** | 0.8132 ± 0.0195 | 0.8584 |
379
+
380
+ #### ADME/AstraZeneca Regression Datasets (RMSE - Lower is better)
381
+
382
+ Hyperparameter optimization for the TAFT stage appears to induce overfitting, as the `MLM + DAPT + TAFT OPT` model shows slightly degraded performance on the ADME/AstraZeneca datasets compared to the `MLM + DAPT + TAFT` model.
383
+ The `MLM + DAPT + TAFT` model, a merge of unoptimized TAFT checkpoints trained with `max_seq_mean` pooling, achieved the best overall performance across the ADME/AstraZeneca datasets.
384
+
385
+ | | ADME | | | | | | AstraZeneca | | | | |
386
+ | ---------------------------------------------------------------------------- | ------------------- | ------------------- | ------------------- | ------------------- | ------------------- | ------------------- | ------------------- | ------------------- | ------------------- | ------------------- | ------ |
387
+ | Model | microsom_stab_h↓ | microsom_stab_r↓ | permeability↓ | ppb_h↓ | ppb_r↓ | solubility↓ | CL↓ | LogD74↓ | PPB↓ | Solubility↓ | AVG† |
388
+ | | | | | | | | | | | |
389
+ | **Tasks** | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | |
390
+ | [MLM](https://huggingface.co/Derify/ModChemBERT-MLM) | 0.4489 ± 0.0114 | 0.4685 ± 0.0225 | 0.5423 ± 0.0076 | 0.8041 ± 0.0378 | 0.7849 ± 0.0394 | 0.5191 ± 0.0147 | **0.4812 ± 0.0073** | 0.8204 ± 0.0070 | 0.1365 ± 0.0066 | 0.9614 ± 0.0189 | 0.5967 |
391
+ | [MLM + DAPT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT) | **0.4199 ± 0.0064** | 0.4568 ± 0.0091 | 0.5042 ± 0.0135 | 0.8376 ± 0.0629 | 0.8446 ± 0.0756 | 0.4800 ± 0.0118 | 0.5351 ± 0.0036 | 0.8191 ± 0.0066 | 0.1237 ± 0.0022 | 0.9280 ± 0.0088 | 0.5949 |
392
+ | [MLM + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-TAFT) | 0.4375 ± 0.0027 | 0.4542 ± 0.0024 | 0.5202 ± 0.0141 | **0.7618 ± 0.0138** | 0.7027 ± 0.0023 | 0.5023 ± 0.0107 | 0.5104 ± 0.0110 | 0.7599 ± 0.0050 | 0.1233 ± 0.0088 | 0.8730 ± 0.0112 | 0.5645 |
393
+ | [MLM + DAPT + TAFT](https://huggingface.co/Derify/ModChemBERT-MLM-DAPT-TAFT) | 0.4206 ± 0.0071 | **0.4400 ± 0.0039** | **0.4899 ± 0.0068** | 0.8927 ± 0.0163 | **0.6942 ± 0.0397** | 0.4641 ± 0.0082 | 0.5022 ± 0.0136 | **0.7467 ± 0.0041** | 0.1195 ± 0.0026 | **0.8564 ± 0.0265** | 0.5626 |
394
+ | [MLM + DAPT + TAFT OPT](https://huggingface.co/Derify/ModChemBERT) | 0.4248 ± 0.0041 | 0.4403 ± 0.0046 | 0.5025 ± 0.0029 | 0.8901 ± 0.0123 | 0.7268 ± 0.0090 | **0.4627 ± 0.0083** | 0.4932 ± 0.0079 | 0.7596 ± 0.0044 | **0.1150 ± 0.0002** | 0.8735 ± 0.0053 | 0.5689 |
395
+
396
+
397
  **Bold** indicates the best result in the column; *italic* indicates the best result among ModChemBERT checkpoints.<br/>
398
  \* Published results from the ChemBERTa-3 [7] paper for optimized chemical language models using DeepChem scaffold splits.<br/>
399
+ † AVG column shows the mean score across classification tasks.<br/>
400
+ ‡ AVG column shows the mean scores across regression tasks without and with the clearance score.
401
 
402
  </details>
403
 
 
437
  | esol | 64 | sum_mean | N/A | 0.1 | 0.0 | 0.1 |
438
  | freesolv | 32 | max_seq_mha | 5 | 0.1 | 0.0 | 0.0 |
439
  | lipo | 32 | max_seq_mha | 3 | 0.1 | 0.1 | 0.1 |
440
+ | antimalarial | 16 | max_seq_mha | 3 | 0.1 | 0.1 | 0.1 |
441
+ | cocrystal | 16 | max_cls | 3 | 0.1 | 0.0 | 0.1 |
442
+ | covid19 | 16 | sum_mean | N/A | 0.1 | 0.0 | 0.1 |
443
 
444
  </details>
445
 
 
473
  ```
474
 
475
  ## References
476
+ 1. Kallergis, G., Asgari, E., Empting, M. et al. Domain adaptable language modeling of chemical compounds identifies potent pathoblockers for Pseudomonas aeruginosa. Commun Chem 8, 114 (2025). https://doi.org/10.1038/s42004-025-01484-4
477
  2. Behrendt, Maike, Stefan Sylvius Wagner, and Stefan Harmeling. "MaxPoolBERT: Enhancing BERT Classification via Layer-and Token-Wise Aggregation." arXiv preprint arXiv:2505.15696 (2025).
478
  3. Sultan, Afnan, et al. "Transformers for molecular property prediction: Domain adaptation efficiently improves performance." arXiv preprint arXiv:2503.03360 (2025).
479
  4. Warner, Benjamin, et al. "Smarter, better, faster, longer: A modern bidirectional encoder for fast, memory efficient, and long context finetuning and inference." arXiv preprint arXiv:2412.13663 (2024).
480
+ 5. Clavié, Benjamin. "JaColBERTv2.5: Optimising Multi-Vector Retrievers to Create State-of-the-Art Japanese Retrievers with Constrained Resources." arXiv preprint arXiv:2407.20750 (2024).
481
  6. Grattafiori, Aaron, et al. "The llama 3 herd of models." arXiv preprint arXiv:2407.21783 (2024).
482
+ 7. Singh R, Barsainyan AA, Irfan R, Amorin CJ, He S, Davis T, et al. ChemBERTa-3: An Open Source Training Framework for Chemical Foundation Models. ChemRxiv. 2025; doi:10.26434/chemrxiv-2025-4glrl-v2 This content is a preprint and has not been peer-reviewed.
483
+ 8. Mswahili, M.E., Hwang, J., Rajapakse, J.C. et al. Positional embeddings and zero-shot learning using BERT for molecular-property prediction. J Cheminform 17, 17 (2025). https://doi.org/10.1186/s13321-025-00959-9
484
+ 9. Mswahili, M.E.; Ndomba, G.E.; Jo, K.; Jeong, Y.-S. Graph Neural Network and BERT Model for Antimalarial Drug Predictions Using Plasmodium Potential Targets. Applied Sciences, 2024, 14(4), 1472. https://doi.org/10.3390/app14041472
485
+ 10. Mswahili, M.E.; Lee, M.-J.; Martin, G.L.; Kim, J.; Kim, P.; Choi, G.J.; Jeong, Y.-S. Cocrystal Prediction Using Machine Learning Models and Descriptors. Applied Sciences, 2021, 11, 1323. https://doi.org/10.3390/app11031323
486
+ 11. Harigua-Souiai, E.; Heinhane, M.M.; Abdelkrim, Y.Z.; Souiai, O.; Abdeljaoued-Tej, I.; Guizani, I. Deep Learning Algorithms Achieved Satisfactory Predictions When Trained on a Novel Collection of Anticoronavirus Molecules. Frontiers in Genetics, 2021, 12:744170. https://doi.org/10.3389/fgene.2021.744170
487
+ 12. Cheng Fang, Ye Wang, Richard Grater, Sudarshan Kapadnis, Cheryl Black, Patrick Trapa, and Simone Sciabola. "Prospective Validation of Machine Learning Algorithms for Absorption, Distribution, Metabolism, and Excretion Prediction: An Industrial Perspective" Journal of Chemical Information and Modeling 2023 63 (11), 3263-3274 https://doi.org/10.1021/acs.jcim.3c00160
logs_modchembert_classification_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_antimalarial_epochs100_batch_size32_20250925_224136.log ADDED
@@ -0,0 +1,365 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-25 22:41:36,360 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Running benchmark for dataset: antimalarial
2
+ 2025-09-25 22:41:36,360 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - dataset: antimalarial, tasks: ['label'], epochs: 100, learning rate: 3e-05
3
+ 2025-09-25 22:41:36,365 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset antimalarial at 2025-09-25_22-41-36
4
+ 2025-09-25 22:41:56,236 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5344 | Val mean-roc_auc_score: 0.7796
5
+ 2025-09-25 22:41:56,237 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 120
6
+ 2025-09-25 22:41:57,212 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.7796
7
+ 2025-09-25 22:42:13,799 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4594 | Val mean-roc_auc_score: 0.8554
8
+ 2025-09-25 22:42:13,990 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 240
9
+ 2025-09-25 22:42:14,568 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8554
10
+ 2025-09-25 22:42:30,961 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.4000 | Val mean-roc_auc_score: 0.8815
11
+ 2025-09-25 22:42:31,159 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 360
12
+ 2025-09-25 22:42:31,790 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val mean-roc_auc_score: 0.8815
13
+ 2025-09-25 22:42:51,319 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3187 | Val mean-roc_auc_score: 0.8836
14
+ 2025-09-25 22:42:51,522 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 480
15
+ 2025-09-25 22:42:52,176 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val mean-roc_auc_score: 0.8836
16
+ 2025-09-25 22:43:09,276 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2537 | Val mean-roc_auc_score: 0.8897
17
+ 2025-09-25 22:43:09,508 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 600
18
+ 2025-09-25 22:43:10,199 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val mean-roc_auc_score: 0.8897
19
+ 2025-09-25 22:43:27,715 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1961 | Val mean-roc_auc_score: 0.8898
20
+ 2025-09-25 22:43:28,200 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 720
21
+ 2025-09-25 22:43:28,826 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 6 with val mean-roc_auc_score: 0.8898
22
+ 2025-09-25 22:43:48,848 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1828 | Val mean-roc_auc_score: 0.8939
23
+ 2025-09-25 22:43:49,046 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 840
24
+ 2025-09-25 22:43:49,667 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val mean-roc_auc_score: 0.8939
25
+ 2025-09-25 22:44:06,778 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1490 | Val mean-roc_auc_score: 0.8953
26
+ 2025-09-25 22:44:07,000 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 960
27
+ 2025-09-25 22:44:07,658 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val mean-roc_auc_score: 0.8953
28
+ 2025-09-25 22:44:26,461 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1211 | Val mean-roc_auc_score: 0.8930
29
+ 2025-09-25 22:44:45,288 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1200 | Val mean-roc_auc_score: 0.8913
30
+ 2025-09-25 22:45:01,318 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.1125 | Val mean-roc_auc_score: 0.8972
31
+ 2025-09-25 22:45:01,758 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 1320
32
+ 2025-09-25 22:45:02,412 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 11 with val mean-roc_auc_score: 0.8972
33
+ 2025-09-25 22:45:18,827 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0844 | Val mean-roc_auc_score: 0.8939
34
+ 2025-09-25 22:45:37,205 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0797 | Val mean-roc_auc_score: 0.8939
35
+ 2025-09-25 22:45:53,535 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0785 | Val mean-roc_auc_score: 0.8985
36
+ 2025-09-25 22:45:53,707 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 1680
37
+ 2025-09-25 22:45:54,373 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 14 with val mean-roc_auc_score: 0.8985
38
+ 2025-09-25 22:46:10,088 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0600 | Val mean-roc_auc_score: 0.8973
39
+ 2025-09-25 22:46:28,784 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0512 | Val mean-roc_auc_score: 0.9017
40
+ 2025-09-25 22:46:29,356 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 1920
41
+ 2025-09-25 22:46:30,075 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 16 with val mean-roc_auc_score: 0.9017
42
+ 2025-09-25 22:46:47,678 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0369 | Val mean-roc_auc_score: 0.9029
43
+ 2025-09-25 22:46:47,916 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 2040
44
+ 2025-09-25 22:46:48,573 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 17 with val mean-roc_auc_score: 0.9029
45
+ 2025-09-25 22:47:05,293 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0391 | Val mean-roc_auc_score: 0.9013
46
+ 2025-09-25 22:47:24,201 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0342 | Val mean-roc_auc_score: 0.9008
47
+ 2025-09-25 22:47:40,480 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0516 | Val mean-roc_auc_score: 0.8958
48
+ 2025-09-25 22:47:56,571 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0367 | Val mean-roc_auc_score: 0.8956
49
+ 2025-09-25 22:48:16,388 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0305 | Val mean-roc_auc_score: 0.9009
50
+ 2025-09-25 22:48:33,414 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0612 | Val mean-roc_auc_score: 0.8944
51
+ 2025-09-25 22:48:51,024 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0322 | Val mean-roc_auc_score: 0.9025
52
+ 2025-09-25 22:49:11,636 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0234 | Val mean-roc_auc_score: 0.8990
53
+ 2025-09-25 22:49:29,259 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0311 | Val mean-roc_auc_score: 0.8914
54
+ 2025-09-25 22:49:46,794 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0363 | Val mean-roc_auc_score: 0.8948
55
+ 2025-09-25 22:50:06,239 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0272 | Val mean-roc_auc_score: 0.8961
56
+ 2025-09-25 22:50:23,701 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0179 | Val mean-roc_auc_score: 0.8964
57
+ 2025-09-25 22:50:40,442 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0145 | Val mean-roc_auc_score: 0.8947
58
+ 2025-09-25 22:51:00,554 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0363 | Val mean-roc_auc_score: 0.8961
59
+ 2025-09-25 22:51:17,790 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0239 | Val mean-roc_auc_score: 0.8930
60
+ 2025-09-25 22:51:34,478 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0221 | Val mean-roc_auc_score: 0.8976
61
+ 2025-09-25 22:51:55,118 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0307 | Val mean-roc_auc_score: 0.8981
62
+ 2025-09-25 22:52:13,260 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0148 | Val mean-roc_auc_score: 0.8987
63
+ 2025-09-25 22:52:31,161 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0118 | Val mean-roc_auc_score: 0.9029
64
+ 2025-09-25 22:52:31,639 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 4320
65
+ 2025-09-25 22:52:32,298 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 36 with val mean-roc_auc_score: 0.9029
66
+ 2025-09-25 22:52:52,902 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0121 | Val mean-roc_auc_score: 0.9003
67
+ 2025-09-25 22:53:10,280 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0210 | Val mean-roc_auc_score: 0.8991
68
+ 2025-09-25 22:53:27,720 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0153 | Val mean-roc_auc_score: 0.8995
69
+ 2025-09-25 22:53:49,082 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0110 | Val mean-roc_auc_score: 0.8989
70
+ 2025-09-25 22:54:06,209 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0127 | Val mean-roc_auc_score: 0.8984
71
+ 2025-09-25 22:54:23,802 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0143 | Val mean-roc_auc_score: 0.8972
72
+ 2025-09-25 22:54:43,214 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0182 | Val mean-roc_auc_score: 0.8951
73
+ 2025-09-25 22:55:00,344 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0132 | Val mean-roc_auc_score: 0.8968
74
+ 2025-09-25 22:55:16,925 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0142 | Val mean-roc_auc_score: 0.8939
75
+ 2025-09-25 22:55:36,912 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0092 | Val mean-roc_auc_score: 0.8980
76
+ 2025-09-25 22:55:54,393 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0227 | Val mean-roc_auc_score: 0.9001
77
+ 2025-09-25 22:56:12,252 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0139 | Val mean-roc_auc_score: 0.8987
78
+ 2025-09-25 22:56:32,690 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0105 | Val mean-roc_auc_score: 0.9004
79
+ 2025-09-25 22:56:50,861 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0109 | Val mean-roc_auc_score: 0.8998
80
+ 2025-09-25 22:57:08,028 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0060 | Val mean-roc_auc_score: 0.8994
81
+ 2025-09-25 22:57:29,033 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0187 | Val mean-roc_auc_score: 0.8949
82
+ 2025-09-25 22:57:46,256 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0106 | Val mean-roc_auc_score: 0.8986
83
+ 2025-09-25 22:58:04,196 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0076 | Val mean-roc_auc_score: 0.8971
84
+ 2025-09-25 22:58:24,025 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0098 | Val mean-roc_auc_score: 0.8965
85
+ 2025-09-25 22:58:41,269 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0082 | Val mean-roc_auc_score: 0.8984
86
+ 2025-09-25 22:58:58,388 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0058 | Val mean-roc_auc_score: 0.9000
87
+ 2025-09-25 22:59:17,462 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0083 | Val mean-roc_auc_score: 0.8988
88
+ 2025-09-25 22:59:35,324 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0152 | Val mean-roc_auc_score: 0.8938
89
+ 2025-09-25 22:59:52,263 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0091 | Val mean-roc_auc_score: 0.8944
90
+ 2025-09-25 23:00:12,237 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0064 | Val mean-roc_auc_score: 0.8937
91
+ 2025-09-25 23:00:29,511 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0107 | Val mean-roc_auc_score: 0.8941
92
+ 2025-09-25 23:00:45,965 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0057 | Val mean-roc_auc_score: 0.8951
93
+ 2025-09-25 23:01:05,493 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0054 | Val mean-roc_auc_score: 0.8946
94
+ 2025-09-25 23:01:22,010 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0060 | Val mean-roc_auc_score: 0.8943
95
+ 2025-09-25 23:01:38,214 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0049 | Val mean-roc_auc_score: 0.8949
96
+ 2025-09-25 23:02:00,064 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0091 | Val mean-roc_auc_score: 0.8956
97
+ 2025-09-25 23:02:16,868 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0052 | Val mean-roc_auc_score: 0.8948
98
+ 2025-09-25 23:02:33,051 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0059 | Val mean-roc_auc_score: 0.8940
99
+ 2025-09-25 23:02:52,010 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0064 | Val mean-roc_auc_score: 0.8941
100
+ 2025-09-25 23:03:07,994 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0022 | Val mean-roc_auc_score: 0.8936
101
+ 2025-09-25 23:03:24,626 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0106 | Val mean-roc_auc_score: 0.8910
102
+ 2025-09-25 23:03:43,643 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0049 | Val mean-roc_auc_score: 0.8934
103
+ 2025-09-25 23:04:00,230 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0130 | Val mean-roc_auc_score: 0.8914
104
+ 2025-09-25 23:04:17,201 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0088 | Val mean-roc_auc_score: 0.8920
105
+ 2025-09-25 23:04:36,536 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0135 | Val mean-roc_auc_score: 0.8957
106
+ 2025-09-25 23:04:53,299 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0101 | Val mean-roc_auc_score: 0.8943
107
+ 2025-09-25 23:05:12,941 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0107 | Val mean-roc_auc_score: 0.8935
108
+ 2025-09-25 23:05:29,538 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0061 | Val mean-roc_auc_score: 0.8964
109
+ 2025-09-25 23:05:46,044 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0070 | Val mean-roc_auc_score: 0.8969
110
+ 2025-09-25 23:06:04,840 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0098 | Val mean-roc_auc_score: 0.8968
111
+ 2025-09-25 23:06:21,623 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0074 | Val mean-roc_auc_score: 0.8964
112
+ 2025-09-25 23:06:37,699 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0045 | Val mean-roc_auc_score: 0.8960
113
+ 2025-09-25 23:07:00,079 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.8957
114
+ 2025-09-25 23:07:18,149 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0045 | Val mean-roc_auc_score: 0.8942
115
+ 2025-09-25 23:07:35,773 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0081 | Val mean-roc_auc_score: 0.8944
116
+ 2025-09-25 23:07:55,760 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0055 | Val mean-roc_auc_score: 0.8939
117
+ 2025-09-25 23:08:12,493 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0065 | Val mean-roc_auc_score: 0.8923
118
+ 2025-09-25 23:08:28,789 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0030 | Val mean-roc_auc_score: 0.8928
119
+ 2025-09-25 23:08:47,794 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0047 | Val mean-roc_auc_score: 0.8925
120
+ 2025-09-25 23:09:03,807 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0050 | Val mean-roc_auc_score: 0.8926
121
+ 2025-09-25 23:09:21,497 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0033 | Val mean-roc_auc_score: 0.8927
122
+ 2025-09-25 23:09:41,153 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0039 | Val mean-roc_auc_score: 0.8923
123
+ 2025-09-25 23:09:58,040 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0057 | Val mean-roc_auc_score: 0.8918
124
+ 2025-09-25 23:10:15,826 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0039 | Val mean-roc_auc_score: 0.8934
125
+ 2025-09-25 23:10:34,723 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0051 | Val mean-roc_auc_score: 0.8933
126
+ 2025-09-25 23:10:51,647 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0058 | Val mean-roc_auc_score: 0.8904
127
+ 2025-09-25 23:11:08,316 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0064 | Val mean-roc_auc_score: 0.8928
128
+ 2025-09-25 23:11:27,435 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0043 | Val mean-roc_auc_score: 0.8913
129
+ 2025-09-25 23:11:46,186 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0043 | Val mean-roc_auc_score: 0.8921
130
+ 2025-09-25 23:11:47,532 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8775
131
+ 2025-09-25 23:11:47,909 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset antimalarial at 2025-09-25_23-11-47
132
+ 2025-09-25 23:12:03,598 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5437 | Val mean-roc_auc_score: 0.8052
133
+ 2025-09-25 23:12:03,598 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 120
134
+ 2025-09-25 23:12:04,603 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.8052
135
+ 2025-09-25 23:12:24,800 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4500 | Val mean-roc_auc_score: 0.8500
136
+ 2025-09-25 23:12:25,007 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 240
137
+ 2025-09-25 23:12:25,764 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8500
138
+ 2025-09-25 23:12:41,650 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3812 | Val mean-roc_auc_score: 0.8866
139
+ 2025-09-25 23:12:41,844 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 360
140
+ 2025-09-25 23:12:42,461 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val mean-roc_auc_score: 0.8866
141
+ 2025-09-25 23:12:59,097 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3078 | Val mean-roc_auc_score: 0.8830
142
+ 2025-09-25 23:13:18,546 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2338 | Val mean-roc_auc_score: 0.8908
143
+ 2025-09-25 23:13:18,712 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 600
144
+ 2025-09-25 23:13:19,429 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val mean-roc_auc_score: 0.8908
145
+ 2025-09-25 23:13:35,362 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.2500 | Val mean-roc_auc_score: 0.8826
146
+ 2025-09-25 23:13:51,920 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1773 | Val mean-roc_auc_score: 0.8913
147
+ 2025-09-25 23:13:52,085 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 840
148
+ 2025-09-25 23:13:52,720 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val mean-roc_auc_score: 0.8913
149
+ 2025-09-25 23:14:13,528 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1385 | Val mean-roc_auc_score: 0.8916
150
+ 2025-09-25 23:14:13,763 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 960
151
+ 2025-09-25 23:14:14,486 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val mean-roc_auc_score: 0.8916
152
+ 2025-09-25 23:14:32,840 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1414 | Val mean-roc_auc_score: 0.8973
153
+ 2025-09-25 23:14:33,096 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 1080
154
+ 2025-09-25 23:14:33,756 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 9 with val mean-roc_auc_score: 0.8973
155
+ 2025-09-25 23:14:50,148 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0981 | Val mean-roc_auc_score: 0.8956
156
+ 2025-09-25 23:15:09,608 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0910 | Val mean-roc_auc_score: 0.8932
157
+ 2025-09-25 23:15:26,444 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0938 | Val mean-roc_auc_score: 0.8979
158
+ 2025-09-25 23:15:26,609 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 1440
159
+ 2025-09-25 23:15:27,347 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 12 with val mean-roc_auc_score: 0.8979
160
+ 2025-09-25 23:15:44,498 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0891 | Val mean-roc_auc_score: 0.8956
161
+ 2025-09-25 23:16:03,932 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0539 | Val mean-roc_auc_score: 0.9027
162
+ 2025-09-25 23:16:04,099 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 1680
163
+ 2025-09-25 23:16:04,743 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 14 with val mean-roc_auc_score: 0.9027
164
+ 2025-09-25 23:16:21,532 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0469 | Val mean-roc_auc_score: 0.8987
165
+ 2025-09-25 23:16:37,338 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0432 | Val mean-roc_auc_score: 0.9054
166
+ 2025-09-25 23:16:37,882 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 1920
167
+ 2025-09-25 23:16:38,537 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 16 with val mean-roc_auc_score: 0.9054
168
+ 2025-09-25 23:16:58,069 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0412 | Val mean-roc_auc_score: 0.9034
169
+ 2025-09-25 23:17:14,685 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0578 | Val mean-roc_auc_score: 0.8972
170
+ 2025-09-25 23:17:31,803 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0414 | Val mean-roc_auc_score: 0.9014
171
+ 2025-09-25 23:17:51,614 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0348 | Val mean-roc_auc_score: 0.8943
172
+ 2025-09-25 23:18:07,847 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0406 | Val mean-roc_auc_score: 0.8960
173
+ 2025-09-25 23:18:25,216 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0535 | Val mean-roc_auc_score: 0.8950
174
+ 2025-09-25 23:18:44,748 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0380 | Val mean-roc_auc_score: 0.8997
175
+ 2025-09-25 23:19:01,458 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0230 | Val mean-roc_auc_score: 0.8997
176
+ 2025-09-25 23:19:18,782 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0328 | Val mean-roc_auc_score: 0.8989
177
+ 2025-09-25 23:19:37,793 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0395 | Val mean-roc_auc_score: 0.9025
178
+ 2025-09-25 23:19:54,878 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0334 | Val mean-roc_auc_score: 0.8979
179
+ 2025-09-25 23:20:11,500 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0329 | Val mean-roc_auc_score: 0.8990
180
+ 2025-09-25 23:20:32,238 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0245 | Val mean-roc_auc_score: 0.8940
181
+ 2025-09-25 23:20:50,022 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0187 | Val mean-roc_auc_score: 0.8950
182
+ 2025-09-25 23:21:07,172 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0181 | Val mean-roc_auc_score: 0.8968
183
+ 2025-09-25 23:21:27,569 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0120 | Val mean-roc_auc_score: 0.8959
184
+ 2025-09-25 23:21:44,397 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0172 | Val mean-roc_auc_score: 0.8940
185
+ 2025-09-25 23:22:01,751 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0128 | Val mean-roc_auc_score: 0.8950
186
+ 2025-09-25 23:22:21,091 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0198 | Val mean-roc_auc_score: 0.8971
187
+ 2025-09-25 23:22:37,467 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0173 | Val mean-roc_auc_score: 0.8949
188
+ 2025-09-25 23:22:57,057 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0090 | Val mean-roc_auc_score: 0.8961
189
+ 2025-09-25 23:23:13,688 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0096 | Val mean-roc_auc_score: 0.8942
190
+ 2025-09-25 23:23:30,246 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0114 | Val mean-roc_auc_score: 0.8965
191
+ 2025-09-25 23:23:49,358 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0120 | Val mean-roc_auc_score: 0.8953
192
+ 2025-09-25 23:24:05,527 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0158 | Val mean-roc_auc_score: 0.8970
193
+ 2025-09-25 23:24:24,339 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0146 | Val mean-roc_auc_score: 0.8972
194
+ 2025-09-25 23:24:43,535 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0071 | Val mean-roc_auc_score: 0.8955
195
+ 2025-09-25 23:25:00,242 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0147 | Val mean-roc_auc_score: 0.8985
196
+ 2025-09-25 23:25:16,914 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0087 | Val mean-roc_auc_score: 0.8968
197
+ 2025-09-25 23:25:36,144 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0093 | Val mean-roc_auc_score: 0.8968
198
+ 2025-09-25 23:25:53,535 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0075 | Val mean-roc_auc_score: 0.8963
199
+ 2025-09-25 23:26:10,397 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0086 | Val mean-roc_auc_score: 0.8959
200
+ 2025-09-25 23:26:29,844 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0080 | Val mean-roc_auc_score: 0.8963
201
+ 2025-09-25 23:26:47,156 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0146 | Val mean-roc_auc_score: 0.8999
202
+ 2025-09-25 23:27:04,493 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0094 | Val mean-roc_auc_score: 0.8948
203
+ 2025-09-25 23:27:24,760 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0147 | Val mean-roc_auc_score: 0.8916
204
+ 2025-09-25 23:27:41,243 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0173 | Val mean-roc_auc_score: 0.8981
205
+ 2025-09-25 23:27:57,791 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0091 | Val mean-roc_auc_score: 0.8989
206
+ 2025-09-25 23:28:17,480 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0079 | Val mean-roc_auc_score: 0.8977
207
+ 2025-09-25 23:28:34,864 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0046 | Val mean-roc_auc_score: 0.8988
208
+ 2025-09-25 23:28:52,026 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0064 | Val mean-roc_auc_score: 0.8994
209
+ 2025-09-25 23:29:11,592 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0097 | Val mean-roc_auc_score: 0.8981
210
+ 2025-09-25 23:29:29,650 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0084 | Val mean-roc_auc_score: 0.8955
211
+ 2025-09-25 23:29:46,235 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0080 | Val mean-roc_auc_score: 0.8954
212
+ 2025-09-25 23:30:05,343 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0805 | Val mean-roc_auc_score: 0.8871
213
+ 2025-09-25 23:30:22,989 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0408 | Val mean-roc_auc_score: 0.8844
214
+ 2025-09-25 23:30:39,942 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0165 | Val mean-roc_auc_score: 0.8875
215
+ 2025-09-25 23:30:59,815 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0222 | Val mean-roc_auc_score: 0.8955
216
+ 2025-09-25 23:31:16,377 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0148 | Val mean-roc_auc_score: 0.8984
217
+ 2025-09-25 23:31:32,939 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0108 | Val mean-roc_auc_score: 0.8983
218
+ 2025-09-25 23:31:53,050 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0058 | Val mean-roc_auc_score: 0.8986
219
+ 2025-09-25 23:32:09,789 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0081 | Val mean-roc_auc_score: 0.8989
220
+ 2025-09-25 23:32:29,014 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0094 | Val mean-roc_auc_score: 0.9011
221
+ 2025-09-25 23:32:45,490 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0089 | Val mean-roc_auc_score: 0.9003
222
+ 2025-09-25 23:33:01,952 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0134 | Val mean-roc_auc_score: 0.9018
223
+ 2025-09-25 23:33:22,203 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0122 | Val mean-roc_auc_score: 0.9008
224
+ 2025-09-25 23:33:38,615 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0082 | Val mean-roc_auc_score: 0.9036
225
+ 2025-09-25 23:33:55,456 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0059 | Val mean-roc_auc_score: 0.9035
226
+ 2025-09-25 23:34:15,133 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0088 | Val mean-roc_auc_score: 0.9026
227
+ 2025-09-25 23:34:31,586 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0044 | Val mean-roc_auc_score: 0.9018
228
+ 2025-09-25 23:34:49,009 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0086 | Val mean-roc_auc_score: 0.8978
229
+ 2025-09-25 23:35:08,496 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0066 | Val mean-roc_auc_score: 0.9007
230
+ 2025-09-25 23:35:24,956 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0080 | Val mean-roc_auc_score: 0.8992
231
+ 2025-09-25 23:35:41,063 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.9000
232
+ 2025-09-25 23:36:00,262 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0028 | Val mean-roc_auc_score: 0.9004
233
+ 2025-09-25 23:36:17,151 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0057 | Val mean-roc_auc_score: 0.8999
234
+ 2025-09-25 23:36:33,382 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0067 | Val mean-roc_auc_score: 0.9020
235
+ 2025-09-25 23:36:53,220 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0062 | Val mean-roc_auc_score: 0.9007
236
+ 2025-09-25 23:37:09,358 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0054 | Val mean-roc_auc_score: 0.9011
237
+ 2025-09-25 23:37:28,297 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0057 | Val mean-roc_auc_score: 0.9020
238
+ 2025-09-25 23:37:45,152 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.9008
239
+ 2025-09-25 23:38:03,234 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.9012
240
+ 2025-09-25 23:38:24,430 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0047 | Val mean-roc_auc_score: 0.9004
241
+ 2025-09-25 23:38:41,811 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0079 | Val mean-roc_auc_score: 0.9000
242
+ 2025-09-25 23:38:59,464 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0050 | Val mean-roc_auc_score: 0.9015
243
+ 2025-09-25 23:39:17,683 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.9043
244
+ 2025-09-25 23:39:37,844 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0037 | Val mean-roc_auc_score: 0.9038
245
+ 2025-09-25 23:39:55,411 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.9037
246
+ 2025-09-25 23:40:12,307 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0061 | Val mean-roc_auc_score: 0.9020
247
+ 2025-09-25 23:40:31,280 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0061 | Val mean-roc_auc_score: 0.8991
248
+ 2025-09-25 23:40:48,678 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0046 | Val mean-roc_auc_score: 0.9009
249
+ 2025-09-25 23:41:05,946 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0054 | Val mean-roc_auc_score: 0.9012
250
+ 2025-09-25 23:41:26,295 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0103 | Val mean-roc_auc_score: 0.9011
251
+ 2025-09-25 23:41:43,783 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0052 | Val mean-roc_auc_score: 0.9031
252
+ 2025-09-25 23:41:44,853 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8892
253
+ 2025-09-25 23:41:45,231 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset antimalarial at 2025-09-25_23-41-45
254
+ 2025-09-25 23:42:01,000 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5094 | Val mean-roc_auc_score: 0.7974
255
+ 2025-09-25 23:42:01,000 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 120
256
+ 2025-09-25 23:42:01,893 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.7974
257
+ 2025-09-25 23:42:21,762 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4281 | Val mean-roc_auc_score: 0.8639
258
+ 2025-09-25 23:42:22,024 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 240
259
+ 2025-09-25 23:42:22,928 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8639
260
+ 2025-09-25 23:42:39,389 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3646 | Val mean-roc_auc_score: 0.8782
261
+ 2025-09-25 23:42:39,588 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 360
262
+ 2025-09-25 23:42:40,261 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val mean-roc_auc_score: 0.8782
263
+ 2025-09-25 23:42:56,323 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3047 | Val mean-roc_auc_score: 0.8841
264
+ 2025-09-25 23:42:56,540 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 480
265
+ 2025-09-25 23:42:57,190 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val mean-roc_auc_score: 0.8841
266
+ 2025-09-25 23:43:17,060 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2500 | Val mean-roc_auc_score: 0.8984
267
+ 2025-09-25 23:43:17,235 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Global step of best model: 600
268
+ 2025-09-25 23:43:17,892 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val mean-roc_auc_score: 0.8984
269
+ 2025-09-25 23:43:34,713 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.2406 | Val mean-roc_auc_score: 0.8885
270
+ 2025-09-25 23:43:52,620 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1344 | Val mean-roc_auc_score: 0.8958
271
+ 2025-09-25 23:44:13,142 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1417 | Val mean-roc_auc_score: 0.8924
272
+ 2025-09-25 23:44:31,114 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1187 | Val mean-roc_auc_score: 0.8877
273
+ 2025-09-25 23:44:48,517 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0850 | Val mean-roc_auc_score: 0.8856
274
+ 2025-09-25 23:45:08,781 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0934 | Val mean-roc_auc_score: 0.8899
275
+ 2025-09-25 23:45:26,240 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0652 | Val mean-roc_auc_score: 0.8956
276
+ 2025-09-25 23:45:43,610 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.1125 | Val mean-roc_auc_score: 0.8945
277
+ 2025-09-25 23:46:03,412 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0727 | Val mean-roc_auc_score: 0.8825
278
+ 2025-09-25 23:46:20,351 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0537 | Val mean-roc_auc_score: 0.8899
279
+ 2025-09-25 23:46:37,311 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0523 | Val mean-roc_auc_score: 0.8883
280
+ 2025-09-25 23:46:58,155 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0570 | Val mean-roc_auc_score: 0.8842
281
+ 2025-09-25 23:47:15,023 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0479 | Val mean-roc_auc_score: 0.8905
282
+ 2025-09-25 23:47:31,985 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0396 | Val mean-roc_auc_score: 0.8883
283
+ 2025-09-25 23:47:51,538 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0353 | Val mean-roc_auc_score: 0.8877
284
+ 2025-09-25 23:48:07,978 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0316 | Val mean-roc_auc_score: 0.8895
285
+ 2025-09-25 23:48:25,508 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0361 | Val mean-roc_auc_score: 0.8875
286
+ 2025-09-25 23:48:45,202 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0190 | Val mean-roc_auc_score: 0.8853
287
+ 2025-09-25 23:49:02,540 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0326 | Val mean-roc_auc_score: 0.8813
288
+ 2025-09-25 23:49:19,898 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0334 | Val mean-roc_auc_score: 0.8898
289
+ 2025-09-25 23:49:38,845 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0459 | Val mean-roc_auc_score: 0.8904
290
+ 2025-09-25 23:49:56,265 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0283 | Val mean-roc_auc_score: 0.8924
291
+ 2025-09-25 23:50:12,686 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0156 | Val mean-roc_auc_score: 0.8915
292
+ 2025-09-25 23:50:32,251 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0217 | Val mean-roc_auc_score: 0.8906
293
+ 2025-09-25 23:50:48,946 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0244 | Val mean-roc_auc_score: 0.8907
294
+ 2025-09-25 23:51:08,005 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0291 | Val mean-roc_auc_score: 0.8857
295
+ 2025-09-25 23:51:25,548 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0129 | Val mean-roc_auc_score: 0.8897
296
+ 2025-09-25 23:51:42,311 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0146 | Val mean-roc_auc_score: 0.8861
297
+ 2025-09-25 23:52:02,049 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0273 | Val mean-roc_auc_score: 0.8869
298
+ 2025-09-25 23:52:17,326 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0152 | Val mean-roc_auc_score: 0.8854
299
+ 2025-09-25 23:52:35,043 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0158 | Val mean-roc_auc_score: 0.8828
300
+ 2025-09-25 23:52:54,626 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0180 | Val mean-roc_auc_score: 0.8825
301
+ 2025-09-25 23:53:11,386 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0139 | Val mean-roc_auc_score: 0.8858
302
+ 2025-09-25 23:53:27,722 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0171 | Val mean-roc_auc_score: 0.8846
303
+ 2025-09-25 23:53:47,342 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0126 | Val mean-roc_auc_score: 0.8852
304
+ 2025-09-25 23:54:03,613 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0150 | Val mean-roc_auc_score: 0.8830
305
+ 2025-09-25 23:54:22,435 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0137 | Val mean-roc_auc_score: 0.8825
306
+ 2025-09-25 23:54:43,026 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0092 | Val mean-roc_auc_score: 0.8791
307
+ 2025-09-25 23:55:01,016 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0115 | Val mean-roc_auc_score: 0.8788
308
+ 2025-09-25 23:55:18,614 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0112 | Val mean-roc_auc_score: 0.8839
309
+ 2025-09-25 23:55:38,493 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0084 | Val mean-roc_auc_score: 0.8815
310
+ 2025-09-25 23:55:55,374 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0079 | Val mean-roc_auc_score: 0.8843
311
+ 2025-09-25 23:56:12,209 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0100 | Val mean-roc_auc_score: 0.8807
312
+ 2025-09-25 23:56:31,950 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0097 | Val mean-roc_auc_score: 0.8822
313
+ 2025-09-25 23:56:49,737 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0073 | Val mean-roc_auc_score: 0.8830
314
+ 2025-09-25 23:57:05,801 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0206 | Val mean-roc_auc_score: 0.8815
315
+ 2025-09-25 23:57:25,971 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0140 | Val mean-roc_auc_score: 0.8809
316
+ 2025-09-25 23:57:42,863 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0123 | Val mean-roc_auc_score: 0.8815
317
+ 2025-09-25 23:57:59,969 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0140 | Val mean-roc_auc_score: 0.8807
318
+ 2025-09-25 23:58:19,846 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0138 | Val mean-roc_auc_score: 0.8779
319
+ 2025-09-25 23:58:35,876 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0134 | Val mean-roc_auc_score: 0.8844
320
+ 2025-09-25 23:58:52,559 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0083 | Val mean-roc_auc_score: 0.8831
321
+ 2025-09-25 23:59:11,811 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0073 | Val mean-roc_auc_score: 0.8852
322
+ 2025-09-25 23:59:28,689 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0102 | Val mean-roc_auc_score: 0.8845
323
+ 2025-09-25 23:59:45,412 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0074 | Val mean-roc_auc_score: 0.8831
324
+ 2025-09-26 00:00:04,576 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0069 | Val mean-roc_auc_score: 0.8815
325
+ 2025-09-26 00:00:21,459 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0070 | Val mean-roc_auc_score: 0.8837
326
+ 2025-09-26 00:00:40,736 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0084 | Val mean-roc_auc_score: 0.8829
327
+ 2025-09-26 00:00:57,523 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0066 | Val mean-roc_auc_score: 0.8826
328
+ 2025-09-26 00:01:14,876 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0065 | Val mean-roc_auc_score: 0.8842
329
+ 2025-09-26 00:01:34,486 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0070 | Val mean-roc_auc_score: 0.8832
330
+ 2025-09-26 00:01:51,399 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0041 | Val mean-roc_auc_score: 0.8819
331
+ 2025-09-26 00:02:08,280 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0062 | Val mean-roc_auc_score: 0.8840
332
+ 2025-09-26 00:02:28,029 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0072 | Val mean-roc_auc_score: 0.8816
333
+ 2025-09-26 00:02:44,976 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0082 | Val mean-roc_auc_score: 0.8829
334
+ 2025-09-26 00:03:01,635 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0045 | Val mean-roc_auc_score: 0.8832
335
+ 2025-09-26 00:03:21,761 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.8835
336
+ 2025-09-26 00:03:38,919 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0059 | Val mean-roc_auc_score: 0.8810
337
+ 2025-09-26 00:03:56,029 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0079 | Val mean-roc_auc_score: 0.8828
338
+ 2025-09-26 00:04:16,890 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0049 | Val mean-roc_auc_score: 0.8825
339
+ 2025-09-26 00:04:33,954 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0123 | Val mean-roc_auc_score: 0.8828
340
+ 2025-09-26 00:04:51,673 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0084 | Val mean-roc_auc_score: 0.8838
341
+ 2025-09-26 00:05:11,981 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0040 | Val mean-roc_auc_score: 0.8838
342
+ 2025-09-26 00:05:28,600 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0041 | Val mean-roc_auc_score: 0.8842
343
+ 2025-09-26 00:05:45,281 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0041 | Val mean-roc_auc_score: 0.8845
344
+ 2025-09-26 00:06:04,720 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0103 | Val mean-roc_auc_score: 0.8819
345
+ 2025-09-26 00:06:21,795 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0045 | Val mean-roc_auc_score: 0.8839
346
+ 2025-09-26 00:06:38,695 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0057 | Val mean-roc_auc_score: 0.8837
347
+ 2025-09-26 00:06:59,057 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0059 | Val mean-roc_auc_score: 0.8828
348
+ 2025-09-26 00:07:16,131 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0056 | Val mean-roc_auc_score: 0.8823
349
+ 2025-09-26 00:07:32,800 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0043 | Val mean-roc_auc_score: 0.8829
350
+ 2025-09-26 00:07:52,405 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0053 | Val mean-roc_auc_score: 0.8821
351
+ 2025-09-26 00:08:09,095 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0063 | Val mean-roc_auc_score: 0.8804
352
+ 2025-09-26 00:08:26,231 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0081 | Val mean-roc_auc_score: 0.8840
353
+ 2025-09-26 00:08:45,994 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0065 | Val mean-roc_auc_score: 0.8844
354
+ 2025-09-26 00:09:04,506 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0069 | Val mean-roc_auc_score: 0.8846
355
+ 2025-09-26 00:09:23,148 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0037 | Val mean-roc_auc_score: 0.8848
356
+ 2025-09-26 00:09:43,008 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0044 | Val mean-roc_auc_score: 0.8850
357
+ 2025-09-26 00:10:00,374 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0035 | Val mean-roc_auc_score: 0.8854
358
+ 2025-09-26 00:10:18,544 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0029 | Val mean-roc_auc_score: 0.8856
359
+ 2025-09-26 00:10:39,542 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0112 | Val mean-roc_auc_score: 0.8783
360
+ 2025-09-26 00:10:56,911 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0091 | Val mean-roc_auc_score: 0.8789
361
+ 2025-09-26 00:11:15,635 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0083 | Val mean-roc_auc_score: 0.8803
362
+ 2025-09-26 00:11:34,936 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0056 | Val mean-roc_auc_score: 0.8800
363
+ 2025-09-26 00:11:51,580 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0058 | Val mean-roc_auc_score: 0.8813
364
+ 2025-09-26 00:11:52,283 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8792
365
+ 2025-09-26 00:11:52,749 - logs_modchembert_antimalarial_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg mean-roc_auc_score: 0.8819, Std Dev: 0.0052
logs_modchembert_classification_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_cocrystal_epochs100_batch_size32_20250926_032547.log ADDED
@@ -0,0 +1,349 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 03:25:47,078 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Running benchmark for dataset: cocrystal
2
+ 2025-09-26 03:25:47,078 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - dataset: cocrystal, tasks: ['label'], epochs: 100, learning rate: 3e-05
3
+ 2025-09-26 03:25:47,083 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset cocrystal at 2025-09-26_03-25-47
4
+ 2025-09-26 03:25:55,449 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6520 | Val mean-roc_auc_score: 0.6901
5
+ 2025-09-26 03:25:55,449 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 37
6
+ 2025-09-26 03:25:56,355 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.6901
7
+ 2025-09-26 03:26:05,874 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4899 | Val mean-roc_auc_score: 0.8204
8
+ 2025-09-26 03:26:06,060 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 74
9
+ 2025-09-26 03:26:06,623 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8204
10
+ 2025-09-26 03:26:17,257 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.4460 | Val mean-roc_auc_score: 0.8560
11
+ 2025-09-26 03:26:17,473 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 111
12
+ 2025-09-26 03:26:18,049 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val mean-roc_auc_score: 0.8560
13
+ 2025-09-26 03:26:24,894 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.4071 | Val mean-roc_auc_score: 0.8234
14
+ 2025-09-26 03:26:35,032 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.3834 | Val mean-roc_auc_score: 0.8247
15
+ 2025-09-26 03:26:45,559 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.3438 | Val mean-roc_auc_score: 0.8507
16
+ 2025-09-26 03:26:53,944 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.3074 | Val mean-roc_auc_score: 0.8527
17
+ 2025-09-26 03:27:04,456 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.2872 | Val mean-roc_auc_score: 0.8545
18
+ 2025-09-26 03:27:14,578 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.3087 | Val mean-roc_auc_score: 0.8635
19
+ 2025-09-26 03:27:14,754 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 333
20
+ 2025-09-26 03:27:15,383 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 9 with val mean-roc_auc_score: 0.8635
21
+ 2025-09-26 03:27:23,101 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.2365 | Val mean-roc_auc_score: 0.8800
22
+ 2025-09-26 03:27:23,324 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 370
23
+ 2025-09-26 03:27:24,006 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 10 with val mean-roc_auc_score: 0.8800
24
+ 2025-09-26 03:27:34,608 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.2801 | Val mean-roc_auc_score: 0.8866
25
+ 2025-09-26 03:27:35,164 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 407
26
+ 2025-09-26 03:27:35,871 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 11 with val mean-roc_auc_score: 0.8866
27
+ 2025-09-26 03:27:45,557 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.2002 | Val mean-roc_auc_score: 0.8889
28
+ 2025-09-26 03:27:45,803 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 444
29
+ 2025-09-26 03:27:46,547 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 12 with val mean-roc_auc_score: 0.8889
30
+ 2025-09-26 03:27:52,944 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.1681 | Val mean-roc_auc_score: 0.8778
31
+ 2025-09-26 03:28:01,477 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.2448 | Val mean-roc_auc_score: 0.8815
32
+ 2025-09-26 03:28:10,720 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.1571 | Val mean-roc_auc_score: 0.8705
33
+ 2025-09-26 03:28:20,084 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.1579 | Val mean-roc_auc_score: 0.8337
34
+ 2025-09-26 03:28:27,131 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.1185 | Val mean-roc_auc_score: 0.8346
35
+ 2025-09-26 03:28:36,198 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.1596 | Val mean-roc_auc_score: 0.8454
36
+ 2025-09-26 03:28:45,042 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0566 | Val mean-roc_auc_score: 0.8218
37
+ 2025-09-26 03:28:51,826 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.1123 | Val mean-roc_auc_score: 0.8535
38
+ 2025-09-26 03:29:01,300 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.1043 | Val mean-roc_auc_score: 0.8158
39
+ 2025-09-26 03:29:11,041 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.1708 | Val mean-roc_auc_score: 0.8659
40
+ 2025-09-26 03:29:20,203 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.1149 | Val mean-roc_auc_score: 0.8631
41
+ 2025-09-26 03:29:27,058 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0519 | Val mean-roc_auc_score: 0.8452
42
+ 2025-09-26 03:29:36,686 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0400 | Val mean-roc_auc_score: 0.8350
43
+ 2025-09-26 03:29:47,071 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0291 | Val mean-roc_auc_score: 0.8296
44
+ 2025-09-26 03:29:56,852 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0513 | Val mean-roc_auc_score: 0.8117
45
+ 2025-09-26 03:30:06,372 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0942 | Val mean-roc_auc_score: 0.8422
46
+ 2025-09-26 03:30:15,772 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0600 | Val mean-roc_auc_score: 0.8424
47
+ 2025-09-26 03:30:22,995 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0699 | Val mean-roc_auc_score: 0.8466
48
+ 2025-09-26 03:30:32,631 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0382 | Val mean-roc_auc_score: 0.8422
49
+ 2025-09-26 03:30:42,065 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0308 | Val mean-roc_auc_score: 0.8450
50
+ 2025-09-26 03:30:48,956 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0242 | Val mean-roc_auc_score: 0.8562
51
+ 2025-09-26 03:30:58,432 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0566 | Val mean-roc_auc_score: 0.8591
52
+ 2025-09-26 03:31:08,522 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0253 | Val mean-roc_auc_score: 0.8500
53
+ 2025-09-26 03:31:18,525 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0229 | Val mean-roc_auc_score: 0.8474
54
+ 2025-09-26 03:31:25,813 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0109 | Val mean-roc_auc_score: 0.8489
55
+ 2025-09-26 03:31:35,200 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0226 | Val mean-roc_auc_score: 0.8390
56
+ 2025-09-26 03:31:44,551 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0125 | Val mean-roc_auc_score: 0.8424
57
+ 2025-09-26 03:31:51,587 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0148 | Val mean-roc_auc_score: 0.8444
58
+ 2025-09-26 03:32:01,424 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0081 | Val mean-roc_auc_score: 0.8445
59
+ 2025-09-26 03:32:11,133 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0106 | Val mean-roc_auc_score: 0.8431
60
+ 2025-09-26 03:32:18,012 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0076 | Val mean-roc_auc_score: 0.8390
61
+ 2025-09-26 03:32:27,718 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0041 | Val mean-roc_auc_score: 0.8370
62
+ 2025-09-26 03:32:37,061 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0049 | Val mean-roc_auc_score: 0.8411
63
+ 2025-09-26 03:32:46,448 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0012 | Val mean-roc_auc_score: 0.8417
64
+ 2025-09-26 03:32:53,557 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0081 | Val mean-roc_auc_score: 0.8360
65
+ 2025-09-26 03:33:02,719 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0110 | Val mean-roc_auc_score: 0.8366
66
+ 2025-09-26 03:33:11,506 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0063 | Val mean-roc_auc_score: 0.8293
67
+ 2025-09-26 03:33:18,208 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0038 | Val mean-roc_auc_score: 0.8239
68
+ 2025-09-26 03:33:27,308 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0037 | Val mean-roc_auc_score: 0.8203
69
+ 2025-09-26 03:33:36,553 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0044 | Val mean-roc_auc_score: 0.8206
70
+ 2025-09-26 03:33:46,137 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0035 | Val mean-roc_auc_score: 0.8117
71
+ 2025-09-26 03:33:53,419 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0044 | Val mean-roc_auc_score: 0.8100
72
+ 2025-09-26 03:34:03,411 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0424 | Val mean-roc_auc_score: 0.8705
73
+ 2025-09-26 03:34:12,387 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0378 | Val mean-roc_auc_score: 0.8535
74
+ 2025-09-26 03:34:19,024 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0694 | Val mean-roc_auc_score: 0.8623
75
+ 2025-09-26 03:34:27,894 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0574 | Val mean-roc_auc_score: 0.8127
76
+ 2025-09-26 03:34:36,580 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0266 | Val mean-roc_auc_score: 0.8252
77
+ 2025-09-26 03:34:45,573 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0111 | Val mean-roc_auc_score: 0.8412
78
+ 2025-09-26 03:34:52,318 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0079 | Val mean-roc_auc_score: 0.8390
79
+ 2025-09-26 03:35:01,446 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0054 | Val mean-roc_auc_score: 0.8354
80
+ 2025-09-26 03:35:10,546 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0068 | Val mean-roc_auc_score: 0.8350
81
+ 2025-09-26 03:35:16,430 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0054 | Val mean-roc_auc_score: 0.8394
82
+ 2025-09-26 03:35:25,617 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0043 | Val mean-roc_auc_score: 0.8402
83
+ 2025-09-26 03:35:34,483 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0046 | Val mean-roc_auc_score: 0.8399
84
+ 2025-09-26 03:35:43,560 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0045 | Val mean-roc_auc_score: 0.8387
85
+ 2025-09-26 03:35:50,380 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0027 | Val mean-roc_auc_score: 0.8372
86
+ 2025-09-26 03:35:58,849 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0036 | Val mean-roc_auc_score: 0.8377
87
+ 2025-09-26 03:36:08,043 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0033 | Val mean-roc_auc_score: 0.8378
88
+ 2025-09-26 03:36:14,712 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0025 | Val mean-roc_auc_score: 0.8378
89
+ 2025-09-26 03:36:24,062 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0040 | Val mean-roc_auc_score: 0.8364
90
+ 2025-09-26 03:36:32,663 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0008 | Val mean-roc_auc_score: 0.8369
91
+ 2025-09-26 03:36:41,569 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0025 | Val mean-roc_auc_score: 0.8363
92
+ 2025-09-26 03:36:47,953 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0031 | Val mean-roc_auc_score: 0.8310
93
+ 2025-09-26 03:36:57,043 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0019 | Val mean-roc_auc_score: 0.8291
94
+ 2025-09-26 03:37:06,233 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0036 | Val mean-roc_auc_score: 0.8290
95
+ 2025-09-26 03:37:15,112 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0031 | Val mean-roc_auc_score: 0.8271
96
+ 2025-09-26 03:37:21,205 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0028 | Val mean-roc_auc_score: 0.8259
97
+ 2025-09-26 03:37:31,152 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0023 | Val mean-roc_auc_score: 0.8264
98
+ 2025-09-26 03:37:41,519 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0019 | Val mean-roc_auc_score: 0.8264
99
+ 2025-09-26 03:37:52,288 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0023 | Val mean-roc_auc_score: 0.8264
100
+ 2025-09-26 03:38:01,137 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0022 | Val mean-roc_auc_score: 0.8268
101
+ 2025-09-26 03:38:09,818 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0034 | Val mean-roc_auc_score: 0.8260
102
+ 2025-09-26 03:38:15,947 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0021 | Val mean-roc_auc_score: 0.8259
103
+ 2025-09-26 03:38:25,033 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0024 | Val mean-roc_auc_score: 0.8255
104
+ 2025-09-26 03:38:34,570 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0037 | Val mean-roc_auc_score: 0.8252
105
+ 2025-09-26 03:38:43,884 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0015 | Val mean-roc_auc_score: 0.8256
106
+ 2025-09-26 03:38:50,211 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0025 | Val mean-roc_auc_score: 0.8253
107
+ 2025-09-26 03:38:59,162 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0026 | Val mean-roc_auc_score: 0.8252
108
+ 2025-09-26 03:39:08,145 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0016 | Val mean-roc_auc_score: 0.8252
109
+ 2025-09-26 03:39:15,155 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0017 | Val mean-roc_auc_score: 0.8365
110
+ 2025-09-26 03:39:24,435 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0026 | Val mean-roc_auc_score: 0.8334
111
+ 2025-09-26 03:39:33,615 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0029 | Val mean-roc_auc_score: 0.8323
112
+ 2025-09-26 03:39:42,886 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0250 | Val mean-roc_auc_score: 0.8307
113
+ 2025-09-26 03:39:49,667 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0151 | Val mean-roc_auc_score: 0.8391
114
+ 2025-09-26 03:39:59,390 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0065 | Val mean-roc_auc_score: 0.8411
115
+ 2025-09-26 03:40:08,390 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0022 | Val mean-roc_auc_score: 0.8398
116
+ 2025-09-26 03:40:14,587 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0033 | Val mean-roc_auc_score: 0.8354
117
+ 2025-09-26 03:40:23,272 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0024 | Val mean-roc_auc_score: 0.8342
118
+ 2025-09-26 03:40:24,300 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8421
119
+ 2025-09-26 03:40:24,704 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset cocrystal at 2025-09-26_03-40-24
120
+ 2025-09-26 03:40:32,091 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6047 | Val mean-roc_auc_score: 0.8130
121
+ 2025-09-26 03:40:32,091 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 37
122
+ 2025-09-26 03:40:32,748 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.8130
123
+ 2025-09-26 03:40:41,431 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4628 | Val mean-roc_auc_score: 0.8358
124
+ 2025-09-26 03:40:41,645 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 74
125
+ 2025-09-26 03:40:42,302 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8358
126
+ 2025-09-26 03:40:49,208 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.4091 | Val mean-roc_auc_score: 0.8739
127
+ 2025-09-26 03:40:49,421 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 111
128
+ 2025-09-26 03:40:50,135 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val mean-roc_auc_score: 0.8739
129
+ 2025-09-26 03:40:59,245 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3530 | Val mean-roc_auc_score: 0.8620
130
+ 2025-09-26 03:41:08,168 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.3328 | Val mean-roc_auc_score: 0.8628
131
+ 2025-09-26 03:41:13,541 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.2969 | Val mean-roc_auc_score: 0.8998
132
+ 2025-09-26 03:41:14,088 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 222
133
+ 2025-09-26 03:41:14,731 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 6 with val mean-roc_auc_score: 0.8998
134
+ 2025-09-26 03:41:23,987 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.2703 | Val mean-roc_auc_score: 0.8737
135
+ 2025-09-26 03:41:32,720 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.2652 | Val mean-roc_auc_score: 0.8989
136
+ 2025-09-26 03:41:41,056 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.2292 | Val mean-roc_auc_score: 0.8909
137
+ 2025-09-26 03:41:47,858 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.2264 | Val mean-roc_auc_score: 0.9117
138
+ 2025-09-26 03:41:48,059 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 370
139
+ 2025-09-26 03:41:48,736 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 10 with val mean-roc_auc_score: 0.9117
140
+ 2025-09-26 03:41:58,666 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.1942 | Val mean-roc_auc_score: 0.8883
141
+ 2025-09-26 03:42:09,003 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.1951 | Val mean-roc_auc_score: 0.8512
142
+ 2025-09-26 03:42:16,355 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.1681 | Val mean-roc_auc_score: 0.8758
143
+ 2025-09-26 03:42:25,925 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.1476 | Val mean-roc_auc_score: 0.8583
144
+ 2025-09-26 03:42:35,358 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.1191 | Val mean-roc_auc_score: 0.8650
145
+ 2025-09-26 03:42:42,249 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.1056 | Val mean-roc_auc_score: 0.8653
146
+ 2025-09-26 03:42:52,077 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.1606 | Val mean-roc_auc_score: 0.8701
147
+ 2025-09-26 03:43:01,300 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.1166 | Val mean-roc_auc_score: 0.8710
148
+ 2025-09-26 03:43:10,462 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.1387 | Val mean-roc_auc_score: 0.8614
149
+ 2025-09-26 03:43:17,123 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0587 | Val mean-roc_auc_score: 0.8675
150
+ 2025-09-26 03:43:26,002 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0912 | Val mean-roc_auc_score: 0.8314
151
+ 2025-09-26 03:43:35,568 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0943 | Val mean-roc_auc_score: 0.8570
152
+ 2025-09-26 03:43:42,422 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0490 | Val mean-roc_auc_score: 0.8587
153
+ 2025-09-26 03:43:51,644 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0319 | Val mean-roc_auc_score: 0.8636
154
+ 2025-09-26 03:43:59,518 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0831 | Val mean-roc_auc_score: 0.8580
155
+ 2025-09-26 03:44:08,652 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0756 | Val mean-roc_auc_score: 0.8590
156
+ 2025-09-26 03:44:16,831 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0785 | Val mean-roc_auc_score: 0.8375
157
+ 2025-09-26 03:44:26,919 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0527 | Val mean-roc_auc_score: 0.8465
158
+ 2025-09-26 03:44:36,788 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0209 | Val mean-roc_auc_score: 0.8358
159
+ 2025-09-26 03:44:43,911 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0101 | Val mean-roc_auc_score: 0.8360
160
+ 2025-09-26 03:44:53,523 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0210 | Val mean-roc_auc_score: 0.8456
161
+ 2025-09-26 03:45:04,226 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0353 | Val mean-roc_auc_score: 0.8133
162
+ 2025-09-26 03:45:12,117 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0322 | Val mean-roc_auc_score: 0.8100
163
+ 2025-09-26 03:45:22,117 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0190 | Val mean-roc_auc_score: 0.8171
164
+ 2025-09-26 03:45:32,198 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0583 | Val mean-roc_auc_score: 0.8155
165
+ 2025-09-26 03:45:42,148 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.1055 | Val mean-roc_auc_score: 0.8387
166
+ 2025-09-26 03:45:50,077 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0414 | Val mean-roc_auc_score: 0.8271
167
+ 2025-09-26 03:45:59,874 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0083 | Val mean-roc_auc_score: 0.8202
168
+ 2025-09-26 03:46:09,303 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0148 | Val mean-roc_auc_score: 0.8276
169
+ 2025-09-26 03:46:16,329 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0096 | Val mean-roc_auc_score: 0.8282
170
+ 2025-09-26 03:46:25,821 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0111 | Val mean-roc_auc_score: 0.8281
171
+ 2025-09-26 03:46:35,628 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0063 | Val mean-roc_auc_score: 0.8288
172
+ 2025-09-26 03:46:42,617 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0090 | Val mean-roc_auc_score: 0.8244
173
+ 2025-09-26 03:46:51,852 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0095 | Val mean-roc_auc_score: 0.8221
174
+ 2025-09-26 03:47:01,156 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0071 | Val mean-roc_auc_score: 0.8193
175
+ 2025-09-26 03:47:10,446 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0532 | Val mean-roc_auc_score: 0.8269
176
+ 2025-09-26 03:47:17,794 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0076 | Val mean-roc_auc_score: 0.8267
177
+ 2025-09-26 03:47:27,592 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0053 | Val mean-roc_auc_score: 0.8279
178
+ 2025-09-26 03:47:36,671 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0145 | Val mean-roc_auc_score: 0.8337
179
+ 2025-09-26 03:47:43,401 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0066 | Val mean-roc_auc_score: 0.8389
180
+ 2025-09-26 03:47:52,518 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0064 | Val mean-roc_auc_score: 0.8256
181
+ 2025-09-26 03:48:00,867 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0050 | Val mean-roc_auc_score: 0.8292
182
+ 2025-09-26 03:48:09,541 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0100 | Val mean-roc_auc_score: 0.8293
183
+ 2025-09-26 03:48:15,582 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0053 | Val mean-roc_auc_score: 0.8287
184
+ 2025-09-26 03:48:26,022 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0041 | Val mean-roc_auc_score: 0.8290
185
+ 2025-09-26 03:48:35,260 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0022 | Val mean-roc_auc_score: 0.8287
186
+ 2025-09-26 03:48:42,231 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0040 | Val mean-roc_auc_score: 0.8272
187
+ 2025-09-26 03:48:51,306 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0027 | Val mean-roc_auc_score: 0.8252
188
+ 2025-09-26 03:49:00,201 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0049 | Val mean-roc_auc_score: 0.8325
189
+ 2025-09-26 03:49:09,012 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0023 | Val mean-roc_auc_score: 0.8413
190
+ 2025-09-26 03:49:15,378 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0025 | Val mean-roc_auc_score: 0.8366
191
+ 2025-09-26 03:49:25,018 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0075 | Val mean-roc_auc_score: 0.8469
192
+ 2025-09-26 03:49:34,559 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0046 | Val mean-roc_auc_score: 0.8371
193
+ 2025-09-26 03:49:41,471 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0072 | Val mean-roc_auc_score: 0.8474
194
+ 2025-09-26 03:49:50,774 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0023 | Val mean-roc_auc_score: 0.8543
195
+ 2025-09-26 03:50:00,156 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0044 | Val mean-roc_auc_score: 0.8485
196
+ 2025-09-26 03:50:10,665 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0023 | Val mean-roc_auc_score: 0.8458
197
+ 2025-09-26 03:50:17,926 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0408 | Val mean-roc_auc_score: 0.7763
198
+ 2025-09-26 03:50:27,343 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0676 | Val mean-roc_auc_score: 0.8378
199
+ 2025-09-26 03:50:36,936 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0315 | Val mean-roc_auc_score: 0.8197
200
+ 2025-09-26 03:50:43,966 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0092 | Val mean-roc_auc_score: 0.8201
201
+ 2025-09-26 03:50:54,408 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0054 | Val mean-roc_auc_score: 0.8169
202
+ 2025-09-26 03:51:04,873 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0014 | Val mean-roc_auc_score: 0.8228
203
+ 2025-09-26 03:51:12,684 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0063 | Val mean-roc_auc_score: 0.8065
204
+ 2025-09-26 03:51:23,033 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0038 | Val mean-roc_auc_score: 0.8071
205
+ 2025-09-26 03:51:33,705 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0042 | Val mean-roc_auc_score: 0.8063
206
+ 2025-09-26 03:51:42,097 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0037 | Val mean-roc_auc_score: 0.8062
207
+ 2025-09-26 03:51:52,589 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0027 | Val mean-roc_auc_score: 0.8056
208
+ 2025-09-26 03:52:01,552 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0059 | Val mean-roc_auc_score: 0.8097
209
+ 2025-09-26 03:52:08,456 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0036 | Val mean-roc_auc_score: 0.8262
210
+ 2025-09-26 03:52:17,881 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0028 | Val mean-roc_auc_score: 0.8244
211
+ 2025-09-26 03:52:29,341 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0022 | Val mean-roc_auc_score: 0.8239
212
+ 2025-09-26 03:52:39,416 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0029 | Val mean-roc_auc_score: 0.8169
213
+ 2025-09-26 03:52:47,439 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0022 | Val mean-roc_auc_score: 0.8313
214
+ 2025-09-26 03:52:58,200 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0022 | Val mean-roc_auc_score: 0.8277
215
+ 2025-09-26 03:53:08,603 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0028 | Val mean-roc_auc_score: 0.8262
216
+ 2025-09-26 03:53:16,392 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0236 | Val mean-roc_auc_score: 0.8408
217
+ 2025-09-26 03:53:26,514 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0073 | Val mean-roc_auc_score: 0.8394
218
+ 2025-09-26 03:53:36,675 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0034 | Val mean-roc_auc_score: 0.8378
219
+ 2025-09-26 03:53:44,508 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0038 | Val mean-roc_auc_score: 0.8341
220
+ 2025-09-26 03:53:55,012 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0033 | Val mean-roc_auc_score: 0.8312
221
+ 2025-09-26 03:54:05,467 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0017 | Val mean-roc_auc_score: 0.8311
222
+ 2025-09-26 03:54:13,166 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0024 | Val mean-roc_auc_score: 0.8303
223
+ 2025-09-26 03:54:23,546 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0028 | Val mean-roc_auc_score: 0.8323
224
+ 2025-09-26 03:54:34,137 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0026 | Val mean-roc_auc_score: 0.8318
225
+ 2025-09-26 03:54:42,109 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0029 | Val mean-roc_auc_score: 0.8322
226
+ 2025-09-26 03:54:52,363 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0020 | Val mean-roc_auc_score: 0.8317
227
+ 2025-09-26 03:55:02,710 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0019 | Val mean-roc_auc_score: 0.8317
228
+ 2025-09-26 03:55:09,836 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0023 | Val mean-roc_auc_score: 0.8305
229
+ 2025-09-26 03:55:18,624 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0057 | Val mean-roc_auc_score: 0.8237
230
+ 2025-09-26 03:55:19,359 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8680
231
+ 2025-09-26 03:55:19,712 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset cocrystal at 2025-09-26_03-55-19
232
+ 2025-09-26 03:55:27,619 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5980 | Val mean-roc_auc_score: 0.7956
233
+ 2025-09-26 03:55:27,619 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 37
234
+ 2025-09-26 03:55:28,230 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.7956
235
+ 2025-09-26 03:55:36,084 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4493 | Val mean-roc_auc_score: 0.8325
236
+ 2025-09-26 03:55:36,276 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 74
237
+ 2025-09-26 03:55:36,857 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8325
238
+ 2025-09-26 03:55:41,990 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3864 | Val mean-roc_auc_score: 0.8562
239
+ 2025-09-26 03:55:42,187 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 111
240
+ 2025-09-26 03:55:42,758 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val mean-roc_auc_score: 0.8562
241
+ 2025-09-26 03:55:51,158 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3868 | Val mean-roc_auc_score: 0.8600
242
+ 2025-09-26 03:55:51,354 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 148
243
+ 2025-09-26 03:55:51,932 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val mean-roc_auc_score: 0.8600
244
+ 2025-09-26 03:56:00,168 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.3412 | Val mean-roc_auc_score: 0.8645
245
+ 2025-09-26 03:56:00,363 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 185
246
+ 2025-09-26 03:56:00,960 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val mean-roc_auc_score: 0.8645
247
+ 2025-09-26 03:56:06,701 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.3338 | Val mean-roc_auc_score: 0.8593
248
+ 2025-09-26 03:56:14,293 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.3193 | Val mean-roc_auc_score: 0.8687
249
+ 2025-09-26 03:56:14,495 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 259
250
+ 2025-09-26 03:56:15,108 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val mean-roc_auc_score: 0.8687
251
+ 2025-09-26 03:56:22,452 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.2821 | Val mean-roc_auc_score: 0.8717
252
+ 2025-09-26 03:56:22,649 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 296
253
+ 2025-09-26 03:56:23,233 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val mean-roc_auc_score: 0.8717
254
+ 2025-09-26 03:56:31,549 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.2519 | Val mean-roc_auc_score: 0.8677
255
+ 2025-09-26 03:56:37,646 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.2297 | Val mean-roc_auc_score: 0.8820
256
+ 2025-09-26 03:56:37,851 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Global step of best model: 370
257
+ 2025-09-26 03:56:38,463 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Best model saved at epoch 10 with val mean-roc_auc_score: 0.8820
258
+ 2025-09-26 03:56:47,833 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.2723 | Val mean-roc_auc_score: 0.8631
259
+ 2025-09-26 03:56:57,951 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.2044 | Val mean-roc_auc_score: 0.8515
260
+ 2025-09-26 03:57:05,156 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.1731 | Val mean-roc_auc_score: 0.8528
261
+ 2025-09-26 03:57:14,178 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.1710 | Val mean-roc_auc_score: 0.8423
262
+ 2025-09-26 03:57:23,414 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.1579 | Val mean-roc_auc_score: 0.8332
263
+ 2025-09-26 03:57:32,812 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.1596 | Val mean-roc_auc_score: 0.8064
264
+ 2025-09-26 03:57:40,459 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.1627 | Val mean-roc_auc_score: 0.8544
265
+ 2025-09-26 03:57:50,316 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.1309 | Val mean-roc_auc_score: 0.8216
266
+ 2025-09-26 03:57:59,787 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0684 | Val mean-roc_auc_score: 0.8104
267
+ 2025-09-26 03:58:07,146 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0861 | Val mean-roc_auc_score: 0.8010
268
+ 2025-09-26 03:58:16,956 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0492 | Val mean-roc_auc_score: 0.8030
269
+ 2025-09-26 03:58:27,826 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.1942 | Val mean-roc_auc_score: 0.8417
270
+ 2025-09-26 03:58:35,864 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.1250 | Val mean-roc_auc_score: 0.8197
271
+ 2025-09-26 03:58:45,815 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0887 | Val mean-roc_auc_score: 0.8234
272
+ 2025-09-26 03:58:54,619 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0666 | Val mean-roc_auc_score: 0.8505
273
+ 2025-09-26 03:59:03,384 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0562 | Val mean-roc_auc_score: 0.8176
274
+ 2025-09-26 03:59:11,454 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0760 | Val mean-roc_auc_score: 0.8407
275
+ 2025-09-26 03:59:21,993 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0373 | Val mean-roc_auc_score: 0.8241
276
+ 2025-09-26 03:59:31,845 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0263 | Val mean-roc_auc_score: 0.8206
277
+ 2025-09-26 03:59:39,261 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0197 | Val mean-roc_auc_score: 0.8112
278
+ 2025-09-26 03:59:49,368 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0141 | Val mean-roc_auc_score: 0.8093
279
+ 2025-09-26 04:00:00,319 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0081 | Val mean-roc_auc_score: 0.8046
280
+ 2025-09-26 04:00:08,211 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0124 | Val mean-roc_auc_score: 0.7984
281
+ 2025-09-26 04:00:17,978 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0484 | Val mean-roc_auc_score: 0.8401
282
+ 2025-09-26 04:00:27,946 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0515 | Val mean-roc_auc_score: 0.8290
283
+ 2025-09-26 04:00:35,232 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0244 | Val mean-roc_auc_score: 0.8115
284
+ 2025-09-26 04:00:45,789 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0187 | Val mean-roc_auc_score: 0.8072
285
+ 2025-09-26 04:00:56,025 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0124 | Val mean-roc_auc_score: 0.8034
286
+ 2025-09-26 04:01:03,272 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0072 | Val mean-roc_auc_score: 0.8026
287
+ 2025-09-26 04:01:12,967 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0118 | Val mean-roc_auc_score: 0.8180
288
+ 2025-09-26 04:01:22,669 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0183 | Val mean-roc_auc_score: 0.8210
289
+ 2025-09-26 04:01:33,004 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0131 | Val mean-roc_auc_score: 0.8210
290
+ 2025-09-26 04:01:40,528 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0115 | Val mean-roc_auc_score: 0.8069
291
+ 2025-09-26 04:01:50,245 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0848 | Val mean-roc_auc_score: 0.7798
292
+ 2025-09-26 04:02:00,090 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.1014 | Val mean-roc_auc_score: 0.8189
293
+ 2025-09-26 04:02:07,515 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0247 | Val mean-roc_auc_score: 0.8259
294
+ 2025-09-26 04:02:17,958 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0186 | Val mean-roc_auc_score: 0.8301
295
+ 2025-09-26 04:02:28,198 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0168 | Val mean-roc_auc_score: 0.8282
296
+ 2025-09-26 04:02:35,521 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0153 | Val mean-roc_auc_score: 0.8204
297
+ 2025-09-26 04:02:45,541 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0094 | Val mean-roc_auc_score: 0.8209
298
+ 2025-09-26 04:02:55,353 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0100 | Val mean-roc_auc_score: 0.8216
299
+ 2025-09-26 04:03:04,429 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0118 | Val mean-roc_auc_score: 0.8271
300
+ 2025-09-26 04:03:10,806 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0078 | Val mean-roc_auc_score: 0.8207
301
+ 2025-09-26 04:03:19,175 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0051 | Val mean-roc_auc_score: 0.8188
302
+ 2025-09-26 04:03:30,069 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0040 | Val mean-roc_auc_score: 0.8197
303
+ 2025-09-26 04:03:37,390 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0030 | Val mean-roc_auc_score: 0.8194
304
+ 2025-09-26 04:03:47,687 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0020 | Val mean-roc_auc_score: 0.8188
305
+ 2025-09-26 04:03:57,909 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0053 | Val mean-roc_auc_score: 0.8203
306
+ 2025-09-26 04:04:05,217 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0046 | Val mean-roc_auc_score: 0.8217
307
+ 2025-09-26 04:04:15,095 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0017 | Val mean-roc_auc_score: 0.8231
308
+ 2025-09-26 04:04:25,109 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0021 | Val mean-roc_auc_score: 0.8230
309
+ 2025-09-26 04:04:33,412 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0027 | Val mean-roc_auc_score: 0.8234
310
+ 2025-09-26 04:04:43,521 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0173 | Val mean-roc_auc_score: 0.8283
311
+ 2025-09-26 04:04:53,356 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0181 | Val mean-roc_auc_score: 0.8287
312
+ 2025-09-26 04:05:03,205 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0029 | Val mean-roc_auc_score: 0.8294
313
+ 2025-09-26 04:05:10,849 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0079 | Val mean-roc_auc_score: 0.8259
314
+ 2025-09-26 04:05:21,501 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0068 | Val mean-roc_auc_score: 0.8249
315
+ 2025-09-26 04:05:31,660 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0035 | Val mean-roc_auc_score: 0.8247
316
+ 2025-09-26 04:05:38,997 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0024 | Val mean-roc_auc_score: 0.8245
317
+ 2025-09-26 04:05:48,872 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0151 | Val mean-roc_auc_score: 0.8242
318
+ 2025-09-26 04:05:58,798 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0310 | Val mean-roc_auc_score: 0.8228
319
+ 2025-09-26 04:06:06,967 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0160 | Val mean-roc_auc_score: 0.8297
320
+ 2025-09-26 04:06:17,494 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0044 | Val mean-roc_auc_score: 0.8232
321
+ 2025-09-26 04:06:27,334 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0045 | Val mean-roc_auc_score: 0.8224
322
+ 2025-09-26 04:06:34,982 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0054 | Val mean-roc_auc_score: 0.8191
323
+ 2025-09-26 04:06:45,040 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0094 | Val mean-roc_auc_score: 0.8149
324
+ 2025-09-26 04:06:55,604 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0074 | Val mean-roc_auc_score: 0.8111
325
+ 2025-09-26 04:07:03,413 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0100 | Val mean-roc_auc_score: 0.8155
326
+ 2025-09-26 04:07:11,750 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0113 | Val mean-roc_auc_score: 0.8147
327
+ 2025-09-26 04:07:20,430 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0039 | Val mean-roc_auc_score: 0.8179
328
+ 2025-09-26 04:07:29,099 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0030 | Val mean-roc_auc_score: 0.8181
329
+ 2025-09-26 04:07:38,022 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0048 | Val mean-roc_auc_score: 0.8242
330
+ 2025-09-26 04:07:48,298 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0021 | Val mean-roc_auc_score: 0.8226
331
+ 2025-09-26 04:07:58,059 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0019 | Val mean-roc_auc_score: 0.8266
332
+ 2025-09-26 04:08:05,362 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0019 | Val mean-roc_auc_score: 0.8262
333
+ 2025-09-26 04:08:15,319 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0015 | Val mean-roc_auc_score: 0.8259
334
+ 2025-09-26 04:08:26,140 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0017 | Val mean-roc_auc_score: 0.8257
335
+ 2025-09-26 04:08:34,134 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0016 | Val mean-roc_auc_score: 0.8254
336
+ 2025-09-26 04:08:44,108 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0015 | Val mean-roc_auc_score: 0.8252
337
+ 2025-09-26 04:08:53,966 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0057 | Val mean-roc_auc_score: 0.8162
338
+ 2025-09-26 04:09:01,456 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0277 | Val mean-roc_auc_score: 0.8258
339
+ 2025-09-26 04:09:12,155 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0095 | Val mean-roc_auc_score: 0.8295
340
+ 2025-09-26 04:09:22,417 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0031 | Val mean-roc_auc_score: 0.8294
341
+ 2025-09-26 04:09:29,690 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0024 | Val mean-roc_auc_score: 0.8306
342
+ 2025-09-26 04:09:39,734 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0030 | Val mean-roc_auc_score: 0.8309
343
+ 2025-09-26 04:09:49,682 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0023 | Val mean-roc_auc_score: 0.8311
344
+ 2025-09-26 04:10:00,308 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0031 | Val mean-roc_auc_score: 0.8335
345
+ 2025-09-26 04:10:03,328 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0024 | Val mean-roc_auc_score: 0.8331
346
+ 2025-09-26 04:10:08,431 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0021 | Val mean-roc_auc_score: 0.8333
347
+ 2025-09-26 04:10:13,638 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0018 | Val mean-roc_auc_score: 0.8333
348
+ 2025-09-26 04:10:14,275 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8548
349
+ 2025-09-26 04:10:14,589 - logs_modchembert_cocrystal_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg mean-roc_auc_score: 0.8550, Std Dev: 0.0106
logs_modchembert_classification_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_covid19_epochs100_batch_size32_20250925_210846.log ADDED
@@ -0,0 +1,327 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-25 21:08:46,585 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Running benchmark for dataset: covid19
2
+ 2025-09-25 21:08:46,585 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - dataset: covid19, tasks: ['label'], epochs: 100, learning rate: 3e-05
3
+ 2025-09-25 21:08:46,589 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset covid19 at 2025-09-25_21-08-46
4
+ 2025-09-25 21:08:52,856 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5308 | Val mean-roc_auc_score: 0.8266
5
+ 2025-09-25 21:08:52,856 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 65
6
+ 2025-09-25 21:08:53,897 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.8266
7
+ 2025-09-25 21:09:04,157 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4146 | Val mean-roc_auc_score: 0.8431
8
+ 2025-09-25 21:09:04,520 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 130
9
+ 2025-09-25 21:09:05,249 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8431
10
+ 2025-09-25 21:09:15,245 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3596 | Val mean-roc_auc_score: 0.8176
11
+ 2025-09-25 21:09:23,797 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2958 | Val mean-roc_auc_score: 0.8365
12
+ 2025-09-25 21:09:34,156 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2412 | Val mean-roc_auc_score: 0.8175
13
+ 2025-09-25 21:09:42,781 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1827 | Val mean-roc_auc_score: 0.8138
14
+ 2025-09-25 21:09:53,827 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1205 | Val mean-roc_auc_score: 0.7970
15
+ 2025-09-25 21:10:04,973 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0941 | Val mean-roc_auc_score: 0.8017
16
+ 2025-09-25 21:10:12,737 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1091 | Val mean-roc_auc_score: 0.8158
17
+ 2025-09-25 21:10:23,598 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0762 | Val mean-roc_auc_score: 0.8104
18
+ 2025-09-25 21:10:34,336 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.1193 | Val mean-roc_auc_score: 0.8119
19
+ 2025-09-25 21:10:42,163 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0582 | Val mean-roc_auc_score: 0.8147
20
+ 2025-09-25 21:10:53,196 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0552 | Val mean-roc_auc_score: 0.8149
21
+ 2025-09-25 21:11:04,194 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0336 | Val mean-roc_auc_score: 0.8169
22
+ 2025-09-25 21:11:11,078 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0406 | Val mean-roc_auc_score: 0.8218
23
+ 2025-09-25 21:11:22,902 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0338 | Val mean-roc_auc_score: 0.8177
24
+ 2025-09-25 21:11:30,680 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0132 | Val mean-roc_auc_score: 0.8270
25
+ 2025-09-25 21:11:41,447 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0296 | Val mean-roc_auc_score: 0.8199
26
+ 2025-09-25 21:11:52,485 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0278 | Val mean-roc_auc_score: 0.8185
27
+ 2025-09-25 21:12:01,107 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0287 | Val mean-roc_auc_score: 0.8165
28
+ 2025-09-25 21:12:12,066 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0416 | Val mean-roc_auc_score: 0.8257
29
+ 2025-09-25 21:12:23,269 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0557 | Val mean-roc_auc_score: 0.8277
30
+ 2025-09-25 21:12:32,205 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0582 | Val mean-roc_auc_score: 0.8083
31
+ 2025-09-25 21:12:43,398 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0516 | Val mean-roc_auc_score: 0.7988
32
+ 2025-09-25 21:12:54,076 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0344 | Val mean-roc_auc_score: 0.8164
33
+ 2025-09-25 21:13:04,818 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0264 | Val mean-roc_auc_score: 0.8189
34
+ 2025-09-25 21:13:12,333 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0226 | Val mean-roc_auc_score: 0.8232
35
+ 2025-09-25 21:13:21,702 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0301 | Val mean-roc_auc_score: 0.8244
36
+ 2025-09-25 21:13:32,801 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0206 | Val mean-roc_auc_score: 0.8264
37
+ 2025-09-25 21:13:43,270 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0227 | Val mean-roc_auc_score: 0.8264
38
+ 2025-09-25 21:13:52,042 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0207 | Val mean-roc_auc_score: 0.8330
39
+ 2025-09-25 21:14:03,418 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0272 | Val mean-roc_auc_score: 0.8219
40
+ 2025-09-25 21:14:13,563 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0264 | Val mean-roc_auc_score: 0.8227
41
+ 2025-09-25 21:14:21,223 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0208 | Val mean-roc_auc_score: 0.8233
42
+ 2025-09-25 21:14:32,047 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0206 | Val mean-roc_auc_score: 0.8250
43
+ 2025-09-25 21:14:43,170 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0234 | Val mean-roc_auc_score: 0.8304
44
+ 2025-09-25 21:14:52,198 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0159 | Val mean-roc_auc_score: 0.8272
45
+ 2025-09-25 21:15:03,064 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0225 | Val mean-roc_auc_score: 0.8230
46
+ 2025-09-25 21:15:11,449 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0231 | Val mean-roc_auc_score: 0.8230
47
+ 2025-09-25 21:15:21,783 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0179 | Val mean-roc_auc_score: 0.8227
48
+ 2025-09-25 21:15:32,241 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0192 | Val mean-roc_auc_score: 0.8261
49
+ 2025-09-25 21:15:40,417 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0204 | Val mean-roc_auc_score: 0.8215
50
+ 2025-09-25 21:15:50,375 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0179 | Val mean-roc_auc_score: 0.8272
51
+ 2025-09-25 21:16:01,313 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0191 | Val mean-roc_auc_score: 0.8254
52
+ 2025-09-25 21:16:09,191 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0130 | Val mean-roc_auc_score: 0.8276
53
+ 2025-09-25 21:16:19,977 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0171 | Val mean-roc_auc_score: 0.8306
54
+ 2025-09-25 21:16:32,410 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0192 | Val mean-roc_auc_score: 0.8274
55
+ 2025-09-25 21:16:39,941 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0201 | Val mean-roc_auc_score: 0.8277
56
+ 2025-09-25 21:16:51,150 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0275 | Val mean-roc_auc_score: 0.8283
57
+ 2025-09-25 21:16:59,781 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0252 | Val mean-roc_auc_score: 0.8255
58
+ 2025-09-25 21:17:10,886 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0411 | Val mean-roc_auc_score: 0.8425
59
+ 2025-09-25 21:17:22,185 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0329 | Val mean-roc_auc_score: 0.8203
60
+ 2025-09-25 21:17:29,640 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0332 | Val mean-roc_auc_score: 0.8230
61
+ 2025-09-25 21:17:40,297 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0184 | Val mean-roc_auc_score: 0.8248
62
+ 2025-09-25 21:17:51,283 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0207 | Val mean-roc_auc_score: 0.8217
63
+ 2025-09-25 21:17:59,367 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0192 | Val mean-roc_auc_score: 0.8240
64
+ 2025-09-25 21:18:11,317 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0116 | Val mean-roc_auc_score: 0.8269
65
+ 2025-09-25 21:18:19,832 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0166 | Val mean-roc_auc_score: 0.8234
66
+ 2025-09-25 21:18:31,107 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0148 | Val mean-roc_auc_score: 0.8275
67
+ 2025-09-25 21:18:41,816 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0156 | Val mean-roc_auc_score: 0.8268
68
+ 2025-09-25 21:18:50,467 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0156 | Val mean-roc_auc_score: 0.8287
69
+ 2025-09-25 21:19:03,048 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0185 | Val mean-roc_auc_score: 0.8305
70
+ 2025-09-25 21:19:14,297 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0180 | Val mean-roc_auc_score: 0.8294
71
+ 2025-09-25 21:19:22,603 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0193 | Val mean-roc_auc_score: 0.8277
72
+ 2025-09-25 21:19:33,525 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0094 | Val mean-roc_auc_score: 0.8294
73
+ 2025-09-25 21:19:41,918 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0161 | Val mean-roc_auc_score: 0.8290
74
+ 2025-09-25 21:19:53,230 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0190 | Val mean-roc_auc_score: 0.8341
75
+ 2025-09-25 21:20:04,415 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0144 | Val mean-roc_auc_score: 0.8325
76
+ 2025-09-25 21:20:12,893 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0531 | Val mean-roc_auc_score: 0.8155
77
+ 2025-09-25 21:20:24,788 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0434 | Val mean-roc_auc_score: 0.8303
78
+ 2025-09-25 21:20:35,793 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0419 | Val mean-roc_auc_score: 0.8360
79
+ 2025-09-25 21:20:46,537 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0228 | Val mean-roc_auc_score: 0.8316
80
+ 2025-09-25 21:20:58,799 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0193 | Val mean-roc_auc_score: 0.8319
81
+ 2025-09-25 21:21:09,460 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0129 | Val mean-roc_auc_score: 0.8326
82
+ 2025-09-25 21:21:17,291 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0175 | Val mean-roc_auc_score: 0.8312
83
+ 2025-09-25 21:21:28,756 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0174 | Val mean-roc_auc_score: 0.8324
84
+ 2025-09-25 21:21:40,934 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0190 | Val mean-roc_auc_score: 0.8346
85
+ 2025-09-25 21:21:51,572 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0166 | Val mean-roc_auc_score: 0.8358
86
+ 2025-09-25 21:22:01,760 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0190 | Val mean-roc_auc_score: 0.8352
87
+ 2025-09-25 21:22:12,844 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0166 | Val mean-roc_auc_score: 0.8341
88
+ 2025-09-25 21:22:20,341 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0177 | Val mean-roc_auc_score: 0.8360
89
+ 2025-09-25 21:22:30,915 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0151 | Val mean-roc_auc_score: 0.8363
90
+ 2025-09-25 21:22:41,542 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0167 | Val mean-roc_auc_score: 0.8355
91
+ 2025-09-25 21:22:52,677 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0171 | Val mean-roc_auc_score: 0.8363
92
+ 2025-09-25 21:23:00,470 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0128 | Val mean-roc_auc_score: 0.8352
93
+ 2025-09-25 21:23:11,498 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0142 | Val mean-roc_auc_score: 0.8343
94
+ 2025-09-25 21:23:23,015 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8348
95
+ 2025-09-25 21:23:33,776 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0173 | Val mean-roc_auc_score: 0.8349
96
+ 2025-09-25 21:23:40,965 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0155 | Val mean-roc_auc_score: 0.8357
97
+ 2025-09-25 21:23:50,459 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0162 | Val mean-roc_auc_score: 0.8356
98
+ 2025-09-25 21:24:00,661 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0132 | Val mean-roc_auc_score: 0.8352
99
+ 2025-09-25 21:24:12,297 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0155 | Val mean-roc_auc_score: 0.8355
100
+ 2025-09-25 21:24:24,027 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0155 | Val mean-roc_auc_score: 0.8350
101
+ 2025-09-25 21:24:31,042 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0160 | Val mean-roc_auc_score: 0.8309
102
+ 2025-09-25 21:24:41,886 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0183 | Val mean-roc_auc_score: 0.8366
103
+ 2025-09-25 21:24:51,549 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0158 | Val mean-roc_auc_score: 0.8346
104
+ 2025-09-25 21:25:02,982 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0190 | Val mean-roc_auc_score: 0.8343
105
+ 2025-09-25 21:25:11,675 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0141 | Val mean-roc_auc_score: 0.8353
106
+ 2025-09-25 21:25:22,796 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0157 | Val mean-roc_auc_score: 0.8343
107
+ 2025-09-25 21:25:33,733 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0165 | Val mean-roc_auc_score: 0.8355
108
+ 2025-09-25 21:25:34,437 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8024
109
+ 2025-09-25 21:25:34,892 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset covid19 at 2025-09-25_21-25-34
110
+ 2025-09-25 21:25:41,812 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5115 | Val mean-roc_auc_score: 0.8227
111
+ 2025-09-25 21:25:41,812 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 65
112
+ 2025-09-25 21:25:42,783 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.8227
113
+ 2025-09-25 21:25:52,920 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4000 | Val mean-roc_auc_score: 0.8382
114
+ 2025-09-25 21:25:53,120 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 130
115
+ 2025-09-25 21:25:53,761 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8382
116
+ 2025-09-25 21:26:04,344 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3519 | Val mean-roc_auc_score: 0.8351
117
+ 2025-09-25 21:26:14,575 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2896 | Val mean-roc_auc_score: 0.8280
118
+ 2025-09-25 21:26:21,016 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2762 | Val mean-roc_auc_score: 0.8173
119
+ 2025-09-25 21:26:31,082 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1673 | Val mean-roc_auc_score: 0.8253
120
+ 2025-09-25 21:26:40,744 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1267 | Val mean-roc_auc_score: 0.8241
121
+ 2025-09-25 21:26:51,033 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0996 | Val mean-roc_auc_score: 0.8160
122
+ 2025-09-25 21:26:58,879 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0683 | Val mean-roc_auc_score: 0.8122
123
+ 2025-09-25 21:27:09,339 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0778 | Val mean-roc_auc_score: 0.8327
124
+ 2025-09-25 21:27:19,940 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0740 | Val mean-roc_auc_score: 0.8076
125
+ 2025-09-25 21:27:28,495 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0435 | Val mean-roc_auc_score: 0.8129
126
+ 2025-09-25 21:27:39,041 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0347 | Val mean-roc_auc_score: 0.8117
127
+ 2025-09-25 21:27:50,303 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0488 | Val mean-roc_auc_score: 0.8067
128
+ 2025-09-25 21:28:00,116 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0358 | Val mean-roc_auc_score: 0.8042
129
+ 2025-09-25 21:28:08,731 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0254 | Val mean-roc_auc_score: 0.8219
130
+ 2025-09-25 21:28:20,199 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0473 | Val mean-roc_auc_score: 0.8194
131
+ 2025-09-25 21:28:29,532 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0445 | Val mean-roc_auc_score: 0.8198
132
+ 2025-09-25 21:28:40,212 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0429 | Val mean-roc_auc_score: 0.8091
133
+ 2025-09-25 21:28:48,155 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0517 | Val mean-roc_auc_score: 0.8102
134
+ 2025-09-25 21:28:58,839 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0697 | Val mean-roc_auc_score: 0.8239
135
+ 2025-09-25 21:29:10,252 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0311 | Val mean-roc_auc_score: 0.8207
136
+ 2025-09-25 21:29:18,525 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0268 | Val mean-roc_auc_score: 0.8243
137
+ 2025-09-25 21:29:29,048 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0241 | Val mean-roc_auc_score: 0.8260
138
+ 2025-09-25 21:29:39,602 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0295 | Val mean-roc_auc_score: 0.8226
139
+ 2025-09-25 21:29:47,930 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0230 | Val mean-roc_auc_score: 0.8187
140
+ 2025-09-25 21:29:59,334 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0213 | Val mean-roc_auc_score: 0.8237
141
+ 2025-09-25 21:30:09,851 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0346 | Val mean-roc_auc_score: 0.8237
142
+ 2025-09-25 21:30:19,610 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0293 | Val mean-roc_auc_score: 0.8369
143
+ 2025-09-25 21:30:26,112 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0444 | Val mean-roc_auc_score: 0.8390
144
+ 2025-09-25 21:30:26,284 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 1950
145
+ 2025-09-25 21:30:26,977 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 30 with val mean-roc_auc_score: 0.8390
146
+ 2025-09-25 21:30:38,890 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0273 | Val mean-roc_auc_score: 0.8221
147
+ 2025-09-25 21:30:51,077 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0264 | Val mean-roc_auc_score: 0.8247
148
+ 2025-09-25 21:31:02,018 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0363 | Val mean-roc_auc_score: 0.8235
149
+ 2025-09-25 21:31:10,175 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0326 | Val mean-roc_auc_score: 0.8214
150
+ 2025-09-25 21:31:21,148 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0204 | Val mean-roc_auc_score: 0.8277
151
+ 2025-09-25 21:31:31,912 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0171 | Val mean-roc_auc_score: 0.8233
152
+ 2025-09-25 21:31:40,265 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0161 | Val mean-roc_auc_score: 0.8256
153
+ 2025-09-25 21:31:50,848 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0175 | Val mean-roc_auc_score: 0.8242
154
+ 2025-09-25 21:31:58,518 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0230 | Val mean-roc_auc_score: 0.8237
155
+ 2025-09-25 21:32:09,050 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0187 | Val mean-roc_auc_score: 0.8232
156
+ 2025-09-25 21:32:20,363 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0171 | Val mean-roc_auc_score: 0.8246
157
+ 2025-09-25 21:32:29,404 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0223 | Val mean-roc_auc_score: 0.8283
158
+ 2025-09-25 21:32:40,198 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0180 | Val mean-roc_auc_score: 0.8243
159
+ 2025-09-25 21:32:51,540 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0182 | Val mean-roc_auc_score: 0.8241
160
+ 2025-09-25 21:32:59,012 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0126 | Val mean-roc_auc_score: 0.8236
161
+ 2025-09-25 21:33:09,626 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0178 | Val mean-roc_auc_score: 0.8244
162
+ 2025-09-25 21:33:21,960 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0152 | Val mean-roc_auc_score: 0.8242
163
+ 2025-09-25 21:33:32,302 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0180 | Val mean-roc_auc_score: 0.8257
164
+ 2025-09-25 21:33:38,763 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0167 | Val mean-roc_auc_score: 0.8255
165
+ 2025-09-25 21:33:47,969 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0177 | Val mean-roc_auc_score: 0.8258
166
+ 2025-09-25 21:33:58,467 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0168 | Val mean-roc_auc_score: 0.8262
167
+ 2025-09-25 21:34:09,714 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0171 | Val mean-roc_auc_score: 0.8233
168
+ 2025-09-25 21:34:18,363 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0171 | Val mean-roc_auc_score: 0.8244
169
+ 2025-09-25 21:34:29,194 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0164 | Val mean-roc_auc_score: 0.8259
170
+ 2025-09-25 21:34:40,435 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0148 | Val mean-roc_auc_score: 0.8242
171
+ 2025-09-25 21:34:49,453 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0134 | Val mean-roc_auc_score: 0.8219
172
+ 2025-09-25 21:35:01,530 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0226 | Val mean-roc_auc_score: 0.8226
173
+ 2025-09-25 21:35:09,989 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0150 | Val mean-roc_auc_score: 0.8229
174
+ 2025-09-25 21:35:20,664 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0125 | Val mean-roc_auc_score: 0.8237
175
+ 2025-09-25 21:35:31,834 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0151 | Val mean-roc_auc_score: 0.8234
176
+ 2025-09-25 21:35:39,760 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0145 | Val mean-roc_auc_score: 0.8234
177
+ 2025-09-25 21:35:52,419 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0161 | Val mean-roc_auc_score: 0.8238
178
+ 2025-09-25 21:36:03,383 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0148 | Val mean-roc_auc_score: 0.8242
179
+ 2025-09-25 21:36:13,900 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0161 | Val mean-roc_auc_score: 0.8241
180
+ 2025-09-25 21:36:21,689 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0216 | Val mean-roc_auc_score: 0.8263
181
+ 2025-09-25 21:36:31,694 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0163 | Val mean-roc_auc_score: 0.8236
182
+ 2025-09-25 21:36:43,233 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0168 | Val mean-roc_auc_score: 0.8272
183
+ 2025-09-25 21:36:54,093 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0258 | Val mean-roc_auc_score: 0.8236
184
+ 2025-09-25 21:37:01,679 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0210 | Val mean-roc_auc_score: 0.8168
185
+ 2025-09-25 21:37:12,049 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0161 | Val mean-roc_auc_score: 0.8198
186
+ 2025-09-25 21:37:22,790 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0120 | Val mean-roc_auc_score: 0.8219
187
+ 2025-09-25 21:37:31,189 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0145 | Val mean-roc_auc_score: 0.8231
188
+ 2025-09-25 21:37:42,170 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0143 | Val mean-roc_auc_score: 0.8228
189
+ 2025-09-25 21:37:52,154 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0094 | Val mean-roc_auc_score: 0.8219
190
+ 2025-09-25 21:38:00,078 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0156 | Val mean-roc_auc_score: 0.8232
191
+ 2025-09-25 21:38:10,893 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0191 | Val mean-roc_auc_score: 0.8219
192
+ 2025-09-25 21:38:22,916 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0150 | Val mean-roc_auc_score: 0.8208
193
+ 2025-09-25 21:38:33,573 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0146 | Val mean-roc_auc_score: 0.8216
194
+ 2025-09-25 21:38:40,502 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0116 | Val mean-roc_auc_score: 0.8242
195
+ 2025-09-25 21:38:49,040 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0145 | Val mean-roc_auc_score: 0.8251
196
+ 2025-09-25 21:39:01,514 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0151 | Val mean-roc_auc_score: 0.8266
197
+ 2025-09-25 21:39:14,179 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0107 | Val mean-roc_auc_score: 0.8247
198
+ 2025-09-25 21:39:23,748 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0162 | Val mean-roc_auc_score: 0.8215
199
+ 2025-09-25 21:39:35,945 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8226
200
+ 2025-09-25 21:39:46,333 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0209 | Val mean-roc_auc_score: 0.8233
201
+ 2025-09-25 21:39:58,646 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0150 | Val mean-roc_auc_score: 0.8228
202
+ 2025-09-25 21:40:12,070 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0150 | Val mean-roc_auc_score: 0.8227
203
+ 2025-09-25 21:40:22,197 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0196 | Val mean-roc_auc_score: 0.8231
204
+ 2025-09-25 21:40:34,453 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0168 | Val mean-roc_auc_score: 0.8243
205
+ 2025-09-25 21:40:44,560 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8244
206
+ 2025-09-25 21:40:55,989 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8242
207
+ 2025-09-25 21:41:06,472 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0163 | Val mean-roc_auc_score: 0.8253
208
+ 2025-09-25 21:41:20,841 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8234
209
+ 2025-09-25 21:41:32,726 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0204 | Val mean-roc_auc_score: 0.8248
210
+ 2025-09-25 21:41:44,562 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0156 | Val mean-roc_auc_score: 0.8215
211
+ 2025-09-25 21:41:53,713 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0153 | Val mean-roc_auc_score: 0.8245
212
+ 2025-09-25 21:42:05,830 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0037 | Val mean-roc_auc_score: 0.8255
213
+ 2025-09-25 21:42:18,160 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0150 | Val mean-roc_auc_score: 0.8259
214
+ 2025-09-25 21:42:26,165 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8272
215
+ 2025-09-25 21:42:37,389 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0146 | Val mean-roc_auc_score: 0.8249
216
+ 2025-09-25 21:42:38,359 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.8152
217
+ 2025-09-25 21:42:38,860 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset covid19 at 2025-09-25_21-42-38
218
+ 2025-09-25 21:42:47,959 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5231 | Val mean-roc_auc_score: 0.8278
219
+ 2025-09-25 21:42:47,959 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 65
220
+ 2025-09-25 21:42:49,023 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val mean-roc_auc_score: 0.8278
221
+ 2025-09-25 21:42:56,770 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4437 | Val mean-roc_auc_score: 0.8320
222
+ 2025-09-25 21:42:56,978 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 130
223
+ 2025-09-25 21:42:57,635 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val mean-roc_auc_score: 0.8320
224
+ 2025-09-25 21:43:07,984 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3635 | Val mean-roc_auc_score: 0.8377
225
+ 2025-09-25 21:43:08,234 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 195
226
+ 2025-09-25 21:43:08,999 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val mean-roc_auc_score: 0.8377
227
+ 2025-09-25 21:43:19,927 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3000 | Val mean-roc_auc_score: 0.8271
228
+ 2025-09-25 21:43:28,059 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2900 | Val mean-roc_auc_score: 0.8327
229
+ 2025-09-25 21:43:38,516 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1712 | Val mean-roc_auc_score: 0.7696
230
+ 2025-09-25 21:43:49,210 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1727 | Val mean-roc_auc_score: 0.8369
231
+ 2025-09-25 21:43:56,662 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1586 | Val mean-roc_auc_score: 0.8394
232
+ 2025-09-25 21:43:56,834 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Global step of best model: 520
233
+ 2025-09-25 21:43:57,676 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val mean-roc_auc_score: 0.8394
234
+ 2025-09-25 21:44:08,211 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0764 | Val mean-roc_auc_score: 0.8357
235
+ 2025-09-25 21:44:16,328 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0691 | Val mean-roc_auc_score: 0.8134
236
+ 2025-09-25 21:44:27,824 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0589 | Val mean-roc_auc_score: 0.8265
237
+ 2025-09-25 21:44:39,953 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0459 | Val mean-roc_auc_score: 0.8259
238
+ 2025-09-25 21:44:48,657 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0441 | Val mean-roc_auc_score: 0.8131
239
+ 2025-09-25 21:45:00,043 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0504 | Val mean-roc_auc_score: 0.8170
240
+ 2025-09-25 21:45:10,529 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0454 | Val mean-roc_auc_score: 0.8267
241
+ 2025-09-25 21:45:19,840 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0406 | Val mean-roc_auc_score: 0.8243
242
+ 2025-09-25 21:45:31,194 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0727 | Val mean-roc_auc_score: 0.8188
243
+ 2025-09-25 21:45:39,249 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0454 | Val mean-roc_auc_score: 0.8153
244
+ 2025-09-25 21:45:49,788 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0348 | Val mean-roc_auc_score: 0.8212
245
+ 2025-09-25 21:46:00,742 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0292 | Val mean-roc_auc_score: 0.8183
246
+ 2025-09-25 21:46:08,794 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0252 | Val mean-roc_auc_score: 0.8199
247
+ 2025-09-25 21:46:20,471 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0243 | Val mean-roc_auc_score: 0.8236
248
+ 2025-09-25 21:46:31,546 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0251 | Val mean-roc_auc_score: 0.8144
249
+ 2025-09-25 21:46:40,027 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0286 | Val mean-roc_auc_score: 0.8025
250
+ 2025-09-25 21:46:50,228 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0284 | Val mean-roc_auc_score: 0.8133
251
+ 2025-09-25 21:47:01,231 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0341 | Val mean-roc_auc_score: 0.8233
252
+ 2025-09-25 21:47:10,364 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0494 | Val mean-roc_auc_score: 0.8296
253
+ 2025-09-25 21:47:21,237 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0239 | Val mean-roc_auc_score: 0.8296
254
+ 2025-09-25 21:47:29,284 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0246 | Val mean-roc_auc_score: 0.8214
255
+ 2025-09-25 21:47:39,530 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0666 | Val mean-roc_auc_score: 0.8257
256
+ 2025-09-25 21:47:51,032 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0385 | Val mean-roc_auc_score: 0.8308
257
+ 2025-09-25 21:47:59,706 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0231 | Val mean-roc_auc_score: 0.8210
258
+ 2025-09-25 21:48:10,922 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0219 | Val mean-roc_auc_score: 0.8246
259
+ 2025-09-25 21:48:21,514 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0226 | Val mean-roc_auc_score: 0.8270
260
+ 2025-09-25 21:48:29,524 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0202 | Val mean-roc_auc_score: 0.8221
261
+ 2025-09-25 21:48:40,793 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0237 | Val mean-roc_auc_score: 0.8316
262
+ 2025-09-25 21:48:51,040 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0436 | Val mean-roc_auc_score: 0.8259
263
+ 2025-09-25 21:49:02,936 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0218 | Val mean-roc_auc_score: 0.8241
264
+ 2025-09-25 21:49:14,785 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0272 | Val mean-roc_auc_score: 0.8248
265
+ 2025-09-25 21:49:22,715 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0302 | Val mean-roc_auc_score: 0.8090
266
+ 2025-09-25 21:49:33,563 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0413 | Val mean-roc_auc_score: 0.8220
267
+ 2025-09-25 21:49:44,542 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0298 | Val mean-roc_auc_score: 0.8173
268
+ 2025-09-25 21:49:53,193 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0243 | Val mean-roc_auc_score: 0.8131
269
+ 2025-09-25 21:50:04,117 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0246 | Val mean-roc_auc_score: 0.8202
270
+ 2025-09-25 21:50:11,701 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0200 | Val mean-roc_auc_score: 0.8288
271
+ 2025-09-25 21:50:22,315 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0203 | Val mean-roc_auc_score: 0.8276
272
+ 2025-09-25 21:50:34,935 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0189 | Val mean-roc_auc_score: 0.8255
273
+ 2025-09-25 21:50:45,121 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0143 | Val mean-roc_auc_score: 0.8243
274
+ 2025-09-25 21:50:51,783 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0194 | Val mean-roc_auc_score: 0.8257
275
+ 2025-09-25 21:51:01,815 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0152 | Val mean-roc_auc_score: 0.8268
276
+ 2025-09-25 21:51:12,225 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0271 | Val mean-roc_auc_score: 0.8264
277
+ 2025-09-25 21:51:23,705 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0179 | Val mean-roc_auc_score: 0.8220
278
+ 2025-09-25 21:51:31,928 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0205 | Val mean-roc_auc_score: 0.8250
279
+ 2025-09-25 21:51:42,600 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0211 | Val mean-roc_auc_score: 0.8236
280
+ 2025-09-25 21:51:52,912 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0144 | Val mean-roc_auc_score: 0.8220
281
+ 2025-09-25 21:52:01,294 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0186 | Val mean-roc_auc_score: 0.8247
282
+ 2025-09-25 21:52:14,712 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0137 | Val mean-roc_auc_score: 0.8244
283
+ 2025-09-25 21:52:26,492 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0189 | Val mean-roc_auc_score: 0.8219
284
+ 2025-09-25 21:52:34,686 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0200 | Val mean-roc_auc_score: 0.8289
285
+ 2025-09-25 21:52:45,281 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0202 | Val mean-roc_auc_score: 0.8277
286
+ 2025-09-25 21:52:53,362 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8242
287
+ 2025-09-25 21:53:07,898 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0161 | Val mean-roc_auc_score: 0.8224
288
+ 2025-09-25 21:53:18,857 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0160 | Val mean-roc_auc_score: 0.8243
289
+ 2025-09-25 21:53:27,378 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0184 | Val mean-roc_auc_score: 0.8205
290
+ 2025-09-25 21:53:38,005 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0173 | Val mean-roc_auc_score: 0.8227
291
+ 2025-09-25 21:53:48,594 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0165 | Val mean-roc_auc_score: 0.8214
292
+ 2025-09-25 21:53:56,962 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0143 | Val mean-roc_auc_score: 0.8249
293
+ 2025-09-25 21:54:08,374 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0184 | Val mean-roc_auc_score: 0.8236
294
+ 2025-09-25 21:54:17,164 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0163 | Val mean-roc_auc_score: 0.8237
295
+ 2025-09-25 21:54:28,276 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0178 | Val mean-roc_auc_score: 0.8231
296
+ 2025-09-25 21:54:39,245 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0236 | Val mean-roc_auc_score: 0.8227
297
+ 2025-09-25 21:54:48,047 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8215
298
+ 2025-09-25 21:54:59,357 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0170 | Val mean-roc_auc_score: 0.8225
299
+ 2025-09-25 21:55:10,375 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0254 | Val mean-roc_auc_score: 0.8241
300
+ 2025-09-25 21:55:18,168 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0167 | Val mean-roc_auc_score: 0.8201
301
+ 2025-09-25 21:55:29,336 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0141 | Val mean-roc_auc_score: 0.8243
302
+ 2025-09-25 21:55:39,826 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0035 | Val mean-roc_auc_score: 0.8216
303
+ 2025-09-25 21:55:50,736 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0150 | Val mean-roc_auc_score: 0.8226
304
+ 2025-09-25 21:56:01,968 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0152 | Val mean-roc_auc_score: 0.8224
305
+ 2025-09-25 21:56:09,685 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0141 | Val mean-roc_auc_score: 0.8239
306
+ 2025-09-25 21:56:20,529 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0154 | Val mean-roc_auc_score: 0.8254
307
+ 2025-09-25 21:56:31,593 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0164 | Val mean-roc_auc_score: 0.8245
308
+ 2025-09-25 21:56:39,737 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0163 | Val mean-roc_auc_score: 0.8245
309
+ 2025-09-25 21:56:50,526 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0163 | Val mean-roc_auc_score: 0.8238
310
+ 2025-09-25 21:57:01,193 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0136 | Val mean-roc_auc_score: 0.8239
311
+ 2025-09-25 21:57:09,279 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0173 | Val mean-roc_auc_score: 0.8234
312
+ 2025-09-25 21:57:22,579 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0160 | Val mean-roc_auc_score: 0.8243
313
+ 2025-09-25 21:57:31,857 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0173 | Val mean-roc_auc_score: 0.8260
314
+ 2025-09-25 21:57:42,494 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8248
315
+ 2025-09-25 21:57:52,984 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0140 | Val mean-roc_auc_score: 0.8233
316
+ 2025-09-25 21:58:00,832 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0134 | Val mean-roc_auc_score: 0.8230
317
+ 2025-09-25 21:58:12,527 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0151 | Val mean-roc_auc_score: 0.8235
318
+ 2025-09-25 21:58:22,087 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0169 | Val mean-roc_auc_score: 0.8247
319
+ 2025-09-25 21:58:32,694 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0104 | Val mean-roc_auc_score: 0.8239
320
+ 2025-09-25 21:58:43,222 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0163 | Val mean-roc_auc_score: 0.8246
321
+ 2025-09-25 21:58:51,271 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0153 | Val mean-roc_auc_score: 0.8226
322
+ 2025-09-25 21:59:02,762 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0102 | Val mean-roc_auc_score: 0.8224
323
+ 2025-09-25 21:59:13,718 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0156 | Val mean-roc_auc_score: 0.8251
324
+ 2025-09-25 21:59:19,752 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0145 | Val mean-roc_auc_score: 0.8214
325
+ 2025-09-25 21:59:27,995 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0141 | Val mean-roc_auc_score: 0.8208
326
+ 2025-09-25 21:59:29,031 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Test mean-roc_auc_score: 0.7863
327
+ 2025-09-25 21:59:29,558 - logs_modchembert_covid19_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg mean-roc_auc_score: 0.8013, Std Dev: 0.0118
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_microsom_stab_h_epochs100_batch_size32_20250926_053842.log ADDED
@@ -0,0 +1,359 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 05:38:42,489 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Running benchmark for dataset: adme_microsom_stab_h
2
+ 2025-09-26 05:38:42,489 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - dataset: adme_microsom_stab_h, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 05:38:42,493 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset adme_microsom_stab_h at 2025-09-26_05-38-42
4
+ 2025-09-26 05:38:49,613 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7778 | Val rms_score: 0.4035
5
+ 2025-09-26 05:38:49,614 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 54
6
+ 2025-09-26 05:38:50,495 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4035
7
+ 2025-09-26 05:38:55,923 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4180 | Val rms_score: 0.3741
8
+ 2025-09-26 05:38:56,171 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 108
9
+ 2025-09-26 05:38:56,867 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3741
10
+ 2025-09-26 05:39:02,420 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3819 | Val rms_score: 0.3783
11
+ 2025-09-26 05:39:08,259 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2930 | Val rms_score: 0.3769
12
+ 2025-09-26 05:39:12,308 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2222 | Val rms_score: 0.3734
13
+ 2025-09-26 05:39:12,499 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 270
14
+ 2025-09-26 05:39:13,082 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val rms_score: 0.3734
15
+ 2025-09-26 05:39:19,273 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1413 | Val rms_score: 0.3697
16
+ 2025-09-26 05:39:19,800 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 324
17
+ 2025-09-26 05:39:20,551 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 6 with val rms_score: 0.3697
18
+ 2025-09-26 05:39:28,452 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1123 | Val rms_score: 0.3841
19
+ 2025-09-26 05:39:36,144 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0952 | Val rms_score: 0.3670
20
+ 2025-09-26 05:39:36,359 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 432
21
+ 2025-09-26 05:39:37,024 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val rms_score: 0.3670
22
+ 2025-09-26 05:39:42,591 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0816 | Val rms_score: 0.3660
23
+ 2025-09-26 05:39:42,889 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 486
24
+ 2025-09-26 05:39:43,717 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 9 with val rms_score: 0.3660
25
+ 2025-09-26 05:39:52,141 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0629 | Val rms_score: 0.3782
26
+ 2025-09-26 05:40:01,138 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0556 | Val rms_score: 0.3806
27
+ 2025-09-26 05:40:07,468 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0573 | Val rms_score: 0.3689
28
+ 2025-09-26 05:40:15,915 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0393 | Val rms_score: 0.3719
29
+ 2025-09-26 05:40:24,325 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0472 | Val rms_score: 0.3745
30
+ 2025-09-26 05:40:32,740 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0400 | Val rms_score: 0.3698
31
+ 2025-09-26 05:40:38,238 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0420 | Val rms_score: 0.3709
32
+ 2025-09-26 05:40:46,672 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0365 | Val rms_score: 0.3755
33
+ 2025-09-26 05:40:55,100 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0337 | Val rms_score: 0.3758
34
+ 2025-09-26 05:41:03,889 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0325 | Val rms_score: 0.3788
35
+ 2025-09-26 05:41:09,940 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0298 | Val rms_score: 0.3787
36
+ 2025-09-26 05:41:18,153 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0306 | Val rms_score: 0.3715
37
+ 2025-09-26 05:41:26,530 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0304 | Val rms_score: 0.3668
38
+ 2025-09-26 05:41:34,795 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0281 | Val rms_score: 0.3752
39
+ 2025-09-26 05:41:40,364 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0273 | Val rms_score: 0.3689
40
+ 2025-09-26 05:41:48,179 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0291 | Val rms_score: 0.3720
41
+ 2025-09-26 05:41:56,733 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0317 | Val rms_score: 0.3623
42
+ 2025-09-26 05:41:57,330 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 1404
43
+ 2025-09-26 05:41:57,969 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 26 with val rms_score: 0.3623
44
+ 2025-09-26 05:42:06,815 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0271 | Val rms_score: 0.3706
45
+ 2025-09-26 05:42:11,738 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0260 | Val rms_score: 0.3715
46
+ 2025-09-26 05:42:19,336 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0253 | Val rms_score: 0.3721
47
+ 2025-09-26 05:42:27,211 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0258 | Val rms_score: 0.3725
48
+ 2025-09-26 05:42:35,013 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0249 | Val rms_score: 0.3661
49
+ 2025-09-26 05:42:40,799 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0254 | Val rms_score: 0.3680
50
+ 2025-09-26 05:42:49,294 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0230 | Val rms_score: 0.3724
51
+ 2025-09-26 05:42:57,414 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0240 | Val rms_score: 0.3715
52
+ 2025-09-26 05:43:05,824 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0224 | Val rms_score: 0.3712
53
+ 2025-09-26 05:43:11,746 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0223 | Val rms_score: 0.3716
54
+ 2025-09-26 05:43:20,518 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0216 | Val rms_score: 0.3702
55
+ 2025-09-26 05:43:29,697 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0210 | Val rms_score: 0.3677
56
+ 2025-09-26 05:43:35,370 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0212 | Val rms_score: 0.3680
57
+ 2025-09-26 05:43:43,280 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0211 | Val rms_score: 0.3686
58
+ 2025-09-26 05:43:51,750 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0211 | Val rms_score: 0.3739
59
+ 2025-09-26 05:44:00,167 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0220 | Val rms_score: 0.3680
60
+ 2025-09-26 05:44:04,779 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0181 | Val rms_score: 0.3762
61
+ 2025-09-26 05:44:12,652 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0200 | Val rms_score: 0.3674
62
+ 2025-09-26 05:44:20,531 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0199 | Val rms_score: 0.3780
63
+ 2025-09-26 05:44:28,681 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0198 | Val rms_score: 0.3686
64
+ 2025-09-26 05:44:34,876 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0182 | Val rms_score: 0.3702
65
+ 2025-09-26 05:44:43,006 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0181 | Val rms_score: 0.3734
66
+ 2025-09-26 05:44:51,456 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0191 | Val rms_score: 0.3738
67
+ 2025-09-26 05:44:59,924 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0171 | Val rms_score: 0.3659
68
+ 2025-09-26 05:45:05,344 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0201 | Val rms_score: 0.3715
69
+ 2025-09-26 05:45:13,100 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0190 | Val rms_score: 0.3678
70
+ 2025-09-26 05:45:21,469 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0178 | Val rms_score: 0.3700
71
+ 2025-09-26 05:45:29,338 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0192 | Val rms_score: 0.3706
72
+ 2025-09-26 05:45:34,802 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0171 | Val rms_score: 0.3704
73
+ 2025-09-26 05:45:43,651 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0178 | Val rms_score: 0.3676
74
+ 2025-09-26 05:45:51,407 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0175 | Val rms_score: 0.3693
75
+ 2025-09-26 05:45:59,126 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0183 | Val rms_score: 0.3659
76
+ 2025-09-26 05:46:03,913 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0166 | Val rms_score: 0.3692
77
+ 2025-09-26 05:46:11,414 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0161 | Val rms_score: 0.3684
78
+ 2025-09-26 05:46:19,168 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0162 | Val rms_score: 0.3695
79
+ 2025-09-26 05:46:26,642 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0167 | Val rms_score: 0.3666
80
+ 2025-09-26 05:46:34,581 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0138 | Val rms_score: 0.3743
81
+ 2025-09-26 05:46:40,059 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0156 | Val rms_score: 0.3660
82
+ 2025-09-26 05:46:48,012 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0140 | Val rms_score: 0.3705
83
+ 2025-09-26 05:46:56,209 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0156 | Val rms_score: 0.3681
84
+ 2025-09-26 05:47:04,539 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0139 | Val rms_score: 0.3720
85
+ 2025-09-26 05:47:10,037 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0161 | Val rms_score: 0.3711
86
+ 2025-09-26 05:47:18,065 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0148 | Val rms_score: 0.3719
87
+ 2025-09-26 05:47:26,101 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0143 | Val rms_score: 0.3690
88
+ 2025-09-26 05:47:33,911 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0149 | Val rms_score: 0.3668
89
+ 2025-09-26 05:47:40,143 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0153 | Val rms_score: 0.3729
90
+ 2025-09-26 05:47:47,710 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0152 | Val rms_score: 0.3678
91
+ 2025-09-26 05:47:55,478 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0155 | Val rms_score: 0.3686
92
+ 2025-09-26 05:48:02,231 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0155 | Val rms_score: 0.3672
93
+ 2025-09-26 05:48:10,623 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0187 | Val rms_score: 0.3712
94
+ 2025-09-26 05:48:18,799 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0133 | Val rms_score: 0.3691
95
+ 2025-09-26 05:48:26,820 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0157 | Val rms_score: 0.3696
96
+ 2025-09-26 05:48:31,967 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0144 | Val rms_score: 0.3709
97
+ 2025-09-26 05:48:39,501 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0136 | Val rms_score: 0.3675
98
+ 2025-09-26 05:48:46,605 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0139 | Val rms_score: 0.3682
99
+ 2025-09-26 05:48:54,904 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0140 | Val rms_score: 0.3691
100
+ 2025-09-26 05:49:02,414 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0140 | Val rms_score: 0.3657
101
+ 2025-09-26 05:49:07,761 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0139 | Val rms_score: 0.3682
102
+ 2025-09-26 05:49:15,491 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0144 | Val rms_score: 0.3635
103
+ 2025-09-26 05:49:22,866 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0130 | Val rms_score: 0.3674
104
+ 2025-09-26 05:49:31,099 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0143 | Val rms_score: 0.3695
105
+ 2025-09-26 05:49:35,482 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0141 | Val rms_score: 0.3678
106
+ 2025-09-26 05:49:43,049 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0153 | Val rms_score: 0.3674
107
+ 2025-09-26 05:49:50,429 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0142 | Val rms_score: 0.3644
108
+ 2025-09-26 05:49:57,970 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0172 | Val rms_score: 0.3728
109
+ 2025-09-26 05:50:03,851 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0165 | Val rms_score: 0.3672
110
+ 2025-09-26 05:50:12,485 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0138 | Val rms_score: 0.3694
111
+ 2025-09-26 05:50:20,205 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0133 | Val rms_score: 0.3669
112
+ 2025-09-26 05:50:27,884 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0124 | Val rms_score: 0.3701
113
+ 2025-09-26 05:50:32,705 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0138 | Val rms_score: 0.3674
114
+ 2025-09-26 05:50:41,311 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0137 | Val rms_score: 0.3653
115
+ 2025-09-26 05:50:48,914 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0136 | Val rms_score: 0.3713
116
+ 2025-09-26 05:50:57,228 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0120 | Val rms_score: 0.3694
117
+ 2025-09-26 05:51:02,637 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0131 | Val rms_score: 0.3671
118
+ 2025-09-26 05:51:03,230 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Test rms_score: 0.4236
119
+ 2025-09-26 05:51:03,583 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset adme_microsom_stab_h at 2025-09-26_05-51-03
120
+ 2025-09-26 05:51:10,633 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7546 | Val rms_score: 0.4018
121
+ 2025-09-26 05:51:10,633 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 54
122
+ 2025-09-26 05:51:11,332 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4018
123
+ 2025-09-26 05:51:19,299 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.5391 | Val rms_score: 0.3981
124
+ 2025-09-26 05:51:19,634 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 108
125
+ 2025-09-26 05:51:20,267 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3981
126
+ 2025-09-26 05:51:27,527 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3704 | Val rms_score: 0.3947
127
+ 2025-09-26 05:51:27,751 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 162
128
+ 2025-09-26 05:51:28,444 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.3947
129
+ 2025-09-26 05:51:33,732 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2988 | Val rms_score: 0.3946
130
+ 2025-09-26 05:51:33,994 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 216
131
+ 2025-09-26 05:51:34,840 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.3946
132
+ 2025-09-26 05:51:42,796 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2164 | Val rms_score: 0.3748
133
+ 2025-09-26 05:51:43,064 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 270
134
+ 2025-09-26 05:51:43,819 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val rms_score: 0.3748
135
+ 2025-09-26 05:51:51,901 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1484 | Val rms_score: 0.3850
136
+ 2025-09-26 05:52:01,113 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1273 | Val rms_score: 0.3702
137
+ 2025-09-26 05:52:01,318 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 378
138
+ 2025-09-26 05:52:01,933 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val rms_score: 0.3702
139
+ 2025-09-26 05:52:07,355 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0991 | Val rms_score: 0.3715
140
+ 2025-09-26 05:52:15,376 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0804 | Val rms_score: 0.3750
141
+ 2025-09-26 05:52:23,312 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0730 | Val rms_score: 0.3689
142
+ 2025-09-26 05:52:23,534 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 540
143
+ 2025-09-26 05:52:24,217 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 10 with val rms_score: 0.3689
144
+ 2025-09-26 05:52:29,802 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0608 | Val rms_score: 0.3736
145
+ 2025-09-26 05:52:37,827 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0553 | Val rms_score: 0.3723
146
+ 2025-09-26 05:52:45,676 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.1099 | Val rms_score: 0.3798
147
+ 2025-09-26 05:52:53,383 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0524 | Val rms_score: 0.3754
148
+ 2025-09-26 05:53:00,613 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0393 | Val rms_score: 0.3677
149
+ 2025-09-26 05:53:00,796 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 810
150
+ 2025-09-26 05:53:01,425 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 15 with val rms_score: 0.3677
151
+ 2025-09-26 05:53:06,374 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0402 | Val rms_score: 0.3862
152
+ 2025-09-26 05:53:14,822 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0401 | Val rms_score: 0.3784
153
+ 2025-09-26 05:53:22,386 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0336 | Val rms_score: 0.3740
154
+ 2025-09-26 05:53:30,494 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0332 | Val rms_score: 0.3696
155
+ 2025-09-26 05:53:36,069 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0321 | Val rms_score: 0.3873
156
+ 2025-09-26 05:53:43,497 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0310 | Val rms_score: 0.3694
157
+ 2025-09-26 05:53:51,225 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0324 | Val rms_score: 0.3668
158
+ 2025-09-26 05:53:51,407 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 1188
159
+ 2025-09-26 05:53:52,066 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 22 with val rms_score: 0.3668
160
+ 2025-09-26 05:53:59,793 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0264 | Val rms_score: 0.3715
161
+ 2025-09-26 05:54:04,349 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0285 | Val rms_score: 0.3649
162
+ 2025-09-26 05:54:04,558 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 1296
163
+ 2025-09-26 05:54:05,199 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 24 with val rms_score: 0.3649
164
+ 2025-09-26 05:54:12,485 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0275 | Val rms_score: 0.3665
165
+ 2025-09-26 05:54:20,160 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0306 | Val rms_score: 0.3756
166
+ 2025-09-26 05:54:28,060 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0259 | Val rms_score: 0.3740
167
+ 2025-09-26 05:54:33,281 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0210 | Val rms_score: 0.3649
168
+ 2025-09-26 05:54:33,453 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 1512
169
+ 2025-09-26 05:54:34,114 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 28 with val rms_score: 0.3649
170
+ 2025-09-26 05:54:41,660 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0239 | Val rms_score: 0.3658
171
+ 2025-09-26 05:54:49,855 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0234 | Val rms_score: 0.3764
172
+ 2025-09-26 05:54:58,279 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0213 | Val rms_score: 0.3690
173
+ 2025-09-26 05:55:04,258 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0269 | Val rms_score: 0.3665
174
+ 2025-09-26 05:55:12,047 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0246 | Val rms_score: 0.3688
175
+ 2025-09-26 05:55:19,872 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0250 | Val rms_score: 0.3699
176
+ 2025-09-26 05:55:27,576 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0224 | Val rms_score: 0.3642
177
+ 2025-09-26 05:55:27,749 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 1890
178
+ 2025-09-26 05:55:28,396 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 35 with val rms_score: 0.3642
179
+ 2025-09-26 05:55:33,001 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0222 | Val rms_score: 0.3673
180
+ 2025-09-26 05:55:41,100 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0220 | Val rms_score: 0.3729
181
+ 2025-09-26 05:55:49,764 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0221 | Val rms_score: 0.3701
182
+ 2025-09-26 05:55:57,169 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0215 | Val rms_score: 0.3697
183
+ 2025-09-26 05:56:01,841 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0203 | Val rms_score: 0.3632
184
+ 2025-09-26 05:56:02,012 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 2160
185
+ 2025-09-26 05:56:02,668 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 40 with val rms_score: 0.3632
186
+ 2025-09-26 05:56:10,083 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0213 | Val rms_score: 0.3735
187
+ 2025-09-26 05:56:18,127 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0194 | Val rms_score: 0.3704
188
+ 2025-09-26 05:56:25,233 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0211 | Val rms_score: 0.3723
189
+ 2025-09-26 05:56:29,359 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0197 | Val rms_score: 0.3681
190
+ 2025-09-26 05:56:36,805 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0194 | Val rms_score: 0.3685
191
+ 2025-09-26 05:56:44,287 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0182 | Val rms_score: 0.3686
192
+ 2025-09-26 05:56:52,393 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0189 | Val rms_score: 0.3683
193
+ 2025-09-26 05:56:59,930 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0207 | Val rms_score: 0.3673
194
+ 2025-09-26 05:57:05,175 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0189 | Val rms_score: 0.3700
195
+ 2025-09-26 05:57:13,223 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0184 | Val rms_score: 0.3691
196
+ 2025-09-26 05:57:21,240 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0172 | Val rms_score: 0.3743
197
+ 2025-09-26 05:57:29,280 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0153 | Val rms_score: 0.3670
198
+ 2025-09-26 05:57:34,737 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0174 | Val rms_score: 0.3710
199
+ 2025-09-26 05:57:42,917 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0172 | Val rms_score: 0.3701
200
+ 2025-09-26 05:57:50,607 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0163 | Val rms_score: 0.3674
201
+ 2025-09-26 05:57:59,348 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0163 | Val rms_score: 0.3677
202
+ 2025-09-26 05:58:04,930 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0158 | Val rms_score: 0.3701
203
+ 2025-09-26 05:58:12,482 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0175 | Val rms_score: 0.3739
204
+ 2025-09-26 05:58:20,218 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0171 | Val rms_score: 0.3713
205
+ 2025-09-26 05:58:28,425 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0166 | Val rms_score: 0.3749
206
+ 2025-09-26 05:58:33,981 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0169 | Val rms_score: 0.3708
207
+ 2025-09-26 05:58:41,923 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0161 | Val rms_score: 0.3691
208
+ 2025-09-26 05:58:49,555 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0189 | Val rms_score: 0.3721
209
+ 2025-09-26 05:58:57,779 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0166 | Val rms_score: 0.3670
210
+ 2025-09-26 05:59:03,047 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0173 | Val rms_score: 0.3708
211
+ 2025-09-26 05:59:11,132 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0164 | Val rms_score: 0.3693
212
+ 2025-09-26 05:59:20,062 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0189 | Val rms_score: 0.3700
213
+ 2025-09-26 05:59:28,293 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0161 | Val rms_score: 0.3654
214
+ 2025-09-26 05:59:34,402 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0149 | Val rms_score: 0.3713
215
+ 2025-09-26 05:59:42,836 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0152 | Val rms_score: 0.3677
216
+ 2025-09-26 05:59:50,862 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0155 | Val rms_score: 0.3751
217
+ 2025-09-26 05:59:56,322 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0143 | Val rms_score: 0.3709
218
+ 2025-09-26 06:00:03,760 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0151 | Val rms_score: 0.3669
219
+ 2025-09-26 06:00:11,195 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0150 | Val rms_score: 0.3725
220
+ 2025-09-26 06:00:20,485 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0141 | Val rms_score: 0.3720
221
+ 2025-09-26 06:00:25,985 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0164 | Val rms_score: 0.3670
222
+ 2025-09-26 06:00:34,530 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0155 | Val rms_score: 0.3709
223
+ 2025-09-26 06:00:42,295 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0170 | Val rms_score: 0.3654
224
+ 2025-09-26 06:00:50,005 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0143 | Val rms_score: 0.3728
225
+ 2025-09-26 06:00:57,447 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0137 | Val rms_score: 0.3662
226
+ 2025-09-26 06:01:02,416 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0140 | Val rms_score: 0.3729
227
+ 2025-09-26 06:01:10,770 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0137 | Val rms_score: 0.3684
228
+ 2025-09-26 06:01:18,749 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0138 | Val rms_score: 0.3702
229
+ 2025-09-26 06:01:26,570 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0143 | Val rms_score: 0.3691
230
+ 2025-09-26 06:01:31,771 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0140 | Val rms_score: 0.3720
231
+ 2025-09-26 06:01:39,324 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0138 | Val rms_score: 0.3713
232
+ 2025-09-26 06:01:47,270 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0145 | Val rms_score: 0.3710
233
+ 2025-09-26 06:01:54,114 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0148 | Val rms_score: 0.3692
234
+ 2025-09-26 06:01:59,249 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0121 | Val rms_score: 0.3738
235
+ 2025-09-26 06:02:07,473 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0140 | Val rms_score: 0.3668
236
+ 2025-09-26 06:02:15,319 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0151 | Val rms_score: 0.3696
237
+ 2025-09-26 06:02:23,017 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0145 | Val rms_score: 0.3695
238
+ 2025-09-26 06:02:29,803 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0128 | Val rms_score: 0.3719
239
+ 2025-09-26 06:02:37,663 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0131 | Val rms_score: 0.3683
240
+ 2025-09-26 06:02:44,971 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0142 | Val rms_score: 0.3686
241
+ 2025-09-26 06:02:52,866 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0141 | Val rms_score: 0.3693
242
+ 2025-09-26 06:02:58,241 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0132 | Val rms_score: 0.3683
243
+ 2025-09-26 06:03:05,696 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0134 | Val rms_score: 0.3686
244
+ 2025-09-26 06:03:13,406 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0129 | Val rms_score: 0.3696
245
+ 2025-09-26 06:03:20,877 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0132 | Val rms_score: 0.3744
246
+ 2025-09-26 06:03:21,471 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Test rms_score: 0.4274
247
+ 2025-09-26 06:03:21,833 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset adme_microsom_stab_h at 2025-09-26_06-03-21
248
+ 2025-09-26 06:03:26,423 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7731 | Val rms_score: 0.4020
249
+ 2025-09-26 06:03:26,423 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 54
250
+ 2025-09-26 06:03:27,256 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4020
251
+ 2025-09-26 06:03:35,264 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4980 | Val rms_score: 0.3924
252
+ 2025-09-26 06:03:35,482 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 108
253
+ 2025-09-26 06:03:36,132 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3924
254
+ 2025-09-26 06:03:44,067 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3634 | Val rms_score: 0.3792
255
+ 2025-09-26 06:03:44,268 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 162
256
+ 2025-09-26 06:03:44,908 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.3792
257
+ 2025-09-26 06:03:53,505 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2520 | Val rms_score: 0.3765
258
+ 2025-09-26 06:03:53,735 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 216
259
+ 2025-09-26 06:03:54,398 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.3765
260
+ 2025-09-26 06:03:59,431 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1944 | Val rms_score: 0.3620
261
+ 2025-09-26 06:03:59,647 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Global step of best model: 270
262
+ 2025-09-26 06:04:00,353 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val rms_score: 0.3620
263
+ 2025-09-26 06:04:08,455 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1432 | Val rms_score: 0.3636
264
+ 2025-09-26 06:04:17,060 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1175 | Val rms_score: 0.3728
265
+ 2025-09-26 06:04:25,078 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0981 | Val rms_score: 0.3875
266
+ 2025-09-26 06:04:29,694 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0799 | Val rms_score: 0.3794
267
+ 2025-09-26 06:04:37,099 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0621 | Val rms_score: 0.3656
268
+ 2025-09-26 06:04:44,658 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0532 | Val rms_score: 0.3735
269
+ 2025-09-26 06:04:52,661 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0518 | Val rms_score: 0.3787
270
+ 2025-09-26 06:04:57,520 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0530 | Val rms_score: 0.3801
271
+ 2025-09-26 06:05:04,883 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0477 | Val rms_score: 0.3791
272
+ 2025-09-26 06:05:12,799 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0490 | Val rms_score: 0.3812
273
+ 2025-09-26 06:05:20,426 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0385 | Val rms_score: 0.3812
274
+ 2025-09-26 06:05:26,135 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0404 | Val rms_score: 0.3811
275
+ 2025-09-26 06:05:33,134 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0362 | Val rms_score: 0.3723
276
+ 2025-09-26 06:05:42,068 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0344 | Val rms_score: 0.3795
277
+ 2025-09-26 06:05:50,151 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0357 | Val rms_score: 0.3730
278
+ 2025-09-26 06:05:55,057 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0345 | Val rms_score: 0.3738
279
+ 2025-09-26 06:06:02,662 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0269 | Val rms_score: 0.3716
280
+ 2025-09-26 06:06:10,352 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0292 | Val rms_score: 0.3760
281
+ 2025-09-26 06:06:18,190 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0272 | Val rms_score: 0.3757
282
+ 2025-09-26 06:06:24,048 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0272 | Val rms_score: 0.3789
283
+ 2025-09-26 06:06:31,892 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0282 | Val rms_score: 0.3757
284
+ 2025-09-26 06:06:40,302 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0275 | Val rms_score: 0.3817
285
+ 2025-09-26 06:06:48,210 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0205 | Val rms_score: 0.3793
286
+ 2025-09-26 06:06:53,913 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0239 | Val rms_score: 0.3736
287
+ 2025-09-26 06:07:02,266 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0233 | Val rms_score: 0.3703
288
+ 2025-09-26 06:07:10,476 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0247 | Val rms_score: 0.3695
289
+ 2025-09-26 06:07:18,580 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0219 | Val rms_score: 0.3749
290
+ 2025-09-26 06:07:23,768 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0210 | Val rms_score: 0.3739
291
+ 2025-09-26 06:07:31,382 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0218 | Val rms_score: 0.3817
292
+ 2025-09-26 06:07:39,426 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0204 | Val rms_score: 0.3769
293
+ 2025-09-26 06:07:46,977 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0195 | Val rms_score: 0.3776
294
+ 2025-09-26 06:07:52,669 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0205 | Val rms_score: 0.3745
295
+ 2025-09-26 06:08:00,854 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0204 | Val rms_score: 0.3729
296
+ 2025-09-26 06:08:08,562 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0197 | Val rms_score: 0.3749
297
+ 2025-09-26 06:08:16,061 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0208 | Val rms_score: 0.3791
298
+ 2025-09-26 06:08:24,218 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0197 | Val rms_score: 0.3766
299
+ 2025-09-26 06:08:30,006 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0197 | Val rms_score: 0.3779
300
+ 2025-09-26 06:08:37,572 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0206 | Val rms_score: 0.3705
301
+ 2025-09-26 06:08:45,478 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0217 | Val rms_score: 0.3691
302
+ 2025-09-26 06:08:53,679 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0184 | Val rms_score: 0.3717
303
+ 2025-09-26 06:08:59,638 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0174 | Val rms_score: 0.3735
304
+ 2025-09-26 06:09:08,145 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0196 | Val rms_score: 0.3771
305
+ 2025-09-26 06:09:16,128 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0195 | Val rms_score: 0.3792
306
+ 2025-09-26 06:09:21,886 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0213 | Val rms_score: 0.3743
307
+ 2025-09-26 06:09:30,632 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0200 | Val rms_score: 0.3701
308
+ 2025-09-26 06:09:38,547 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0200 | Val rms_score: 0.3738
309
+ 2025-09-26 06:09:46,820 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0173 | Val rms_score: 0.3763
310
+ 2025-09-26 06:09:52,385 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0166 | Val rms_score: 0.3713
311
+ 2025-09-26 06:10:00,737 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0175 | Val rms_score: 0.3698
312
+ 2025-09-26 06:10:08,793 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0161 | Val rms_score: 0.3726
313
+ 2025-09-26 06:10:18,070 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0168 | Val rms_score: 0.3731
314
+ 2025-09-26 06:10:24,250 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0175 | Val rms_score: 0.3758
315
+ 2025-09-26 06:10:31,880 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0159 | Val rms_score: 0.3748
316
+ 2025-09-26 06:10:39,262 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0158 | Val rms_score: 0.3737
317
+ 2025-09-26 06:10:46,919 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0160 | Val rms_score: 0.3718
318
+ 2025-09-26 06:10:51,649 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0159 | Val rms_score: 0.3721
319
+ 2025-09-26 06:10:59,556 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0159 | Val rms_score: 0.3741
320
+ 2025-09-26 06:11:07,366 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0145 | Val rms_score: 0.3739
321
+ 2025-09-26 06:11:15,171 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0161 | Val rms_score: 0.3785
322
+ 2025-09-26 06:11:22,545 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0165 | Val rms_score: 0.3723
323
+ 2025-09-26 06:11:27,904 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0156 | Val rms_score: 0.3753
324
+ 2025-09-26 06:11:35,934 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0149 | Val rms_score: 0.3768
325
+ 2025-09-26 06:11:43,887 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0159 | Val rms_score: 0.3748
326
+ 2025-09-26 06:11:51,636 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0161 | Val rms_score: 0.3729
327
+ 2025-09-26 06:11:56,902 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0158 | Val rms_score: 0.3735
328
+ 2025-09-26 06:12:04,722 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0148 | Val rms_score: 0.3792
329
+ 2025-09-26 06:12:12,849 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0149 | Val rms_score: 0.3700
330
+ 2025-09-26 06:12:20,574 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0152 | Val rms_score: 0.3699
331
+ 2025-09-26 06:12:25,828 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0140 | Val rms_score: 0.3765
332
+ 2025-09-26 06:12:34,689 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0152 | Val rms_score: 0.3718
333
+ 2025-09-26 06:12:42,470 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0135 | Val rms_score: 0.3725
334
+ 2025-09-26 06:12:50,186 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0143 | Val rms_score: 0.3726
335
+ 2025-09-26 06:12:55,563 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0144 | Val rms_score: 0.3710
336
+ 2025-09-26 06:13:03,295 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0143 | Val rms_score: 0.3725
337
+ 2025-09-26 06:13:11,428 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0139 | Val rms_score: 0.3707
338
+ 2025-09-26 06:13:19,767 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0150 | Val rms_score: 0.3727
339
+ 2025-09-26 06:13:25,754 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0146 | Val rms_score: 0.3781
340
+ 2025-09-26 06:13:34,074 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0154 | Val rms_score: 0.3748
341
+ 2025-09-26 06:13:42,385 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0143 | Val rms_score: 0.3754
342
+ 2025-09-26 06:13:51,193 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0140 | Val rms_score: 0.3718
343
+ 2025-09-26 06:13:57,405 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0147 | Val rms_score: 0.3732
344
+ 2025-09-26 06:14:06,554 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0140 | Val rms_score: 0.3707
345
+ 2025-09-26 06:14:14,620 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0137 | Val rms_score: 0.3728
346
+ 2025-09-26 06:14:20,536 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0130 | Val rms_score: 0.3718
347
+ 2025-09-26 06:14:28,867 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0136 | Val rms_score: 0.3745
348
+ 2025-09-26 06:14:37,186 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0139 | Val rms_score: 0.3754
349
+ 2025-09-26 06:14:45,342 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0130 | Val rms_score: 0.3723
350
+ 2025-09-26 06:14:52,061 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0128 | Val rms_score: 0.3775
351
+ 2025-09-26 06:14:59,254 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0142 | Val rms_score: 0.3704
352
+ 2025-09-26 06:15:06,856 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0134 | Val rms_score: 0.3705
353
+ 2025-09-26 06:15:14,519 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0133 | Val rms_score: 0.3682
354
+ 2025-09-26 06:15:20,225 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0133 | Val rms_score: 0.3686
355
+ 2025-09-26 06:15:27,564 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0132 | Val rms_score: 0.3780
356
+ 2025-09-26 06:15:35,427 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0136 | Val rms_score: 0.3728
357
+ 2025-09-26 06:15:43,224 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0129 | Val rms_score: 0.3779
358
+ 2025-09-26 06:15:43,841 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Test rms_score: 0.4107
359
+ 2025-09-26 06:15:44,212 - logs_modchembert_adme_microsom_stab_h_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.4206, Std Dev: 0.0071
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_microsom_stab_r_epochs100_batch_size32_20250926_061544.log ADDED
@@ -0,0 +1,323 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 06:15:44,214 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Running benchmark for dataset: adme_microsom_stab_r
2
+ 2025-09-26 06:15:44,214 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - dataset: adme_microsom_stab_r, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 06:15:44,220 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset adme_microsom_stab_r at 2025-09-26_06-15-44
4
+ 2025-09-26 06:15:50,471 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6691 | Val rms_score: 0.5054
5
+ 2025-09-26 06:15:50,471 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Global step of best model: 68
6
+ 2025-09-26 06:15:51,223 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.5054
7
+ 2025-09-26 06:16:00,740 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4167 | Val rms_score: 0.4756
8
+ 2025-09-26 06:16:00,949 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Global step of best model: 136
9
+ 2025-09-26 06:16:01,643 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.4756
10
+ 2025-09-26 06:16:11,352 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2188 | Val rms_score: 0.4704
11
+ 2025-09-26 06:16:11,586 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Global step of best model: 204
12
+ 2025-09-26 06:16:12,294 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.4704
13
+ 2025-09-26 06:16:19,153 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2105 | Val rms_score: 0.4926
14
+ 2025-09-26 06:16:28,774 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1703 | Val rms_score: 0.4869
15
+ 2025-09-26 06:16:38,539 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1289 | Val rms_score: 0.4818
16
+ 2025-09-26 06:16:49,660 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1002 | Val rms_score: 0.4767
17
+ 2025-09-26 06:16:57,028 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0902 | Val rms_score: 0.4766
18
+ 2025-09-26 06:17:07,260 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0794 | Val rms_score: 0.4970
19
+ 2025-09-26 06:17:17,316 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0611 | Val rms_score: 0.4942
20
+ 2025-09-26 06:17:24,313 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0557 | Val rms_score: 0.4801
21
+ 2025-09-26 06:17:34,824 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0527 | Val rms_score: 0.4814
22
+ 2025-09-26 06:17:44,383 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0430 | Val rms_score: 0.4835
23
+ 2025-09-26 06:17:51,810 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0436 | Val rms_score: 0.4868
24
+ 2025-09-26 06:18:01,983 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0371 | Val rms_score: 0.4895
25
+ 2025-09-26 06:18:11,813 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0363 | Val rms_score: 0.4989
26
+ 2025-09-26 06:18:18,519 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0374 | Val rms_score: 0.4912
27
+ 2025-09-26 06:18:27,799 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0340 | Val rms_score: 0.4864
28
+ 2025-09-26 06:18:36,933 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0340 | Val rms_score: 0.5044
29
+ 2025-09-26 06:18:46,227 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0339 | Val rms_score: 0.4895
30
+ 2025-09-26 06:18:52,620 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0368 | Val rms_score: 0.4787
31
+ 2025-09-26 06:19:02,035 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0290 | Val rms_score: 0.4849
32
+ 2025-09-26 06:19:10,894 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0260 | Val rms_score: 0.4851
33
+ 2025-09-26 06:19:17,839 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0275 | Val rms_score: 0.4803
34
+ 2025-09-26 06:19:27,201 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0252 | Val rms_score: 0.4843
35
+ 2025-09-26 06:19:36,339 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0247 | Val rms_score: 0.4898
36
+ 2025-09-26 06:19:45,429 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0237 | Val rms_score: 0.4916
37
+ 2025-09-26 06:19:52,480 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0206 | Val rms_score: 0.4882
38
+ 2025-09-26 06:20:01,868 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0229 | Val rms_score: 0.4902
39
+ 2025-09-26 06:20:12,577 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0212 | Val rms_score: 0.4867
40
+ 2025-09-26 06:20:19,713 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0214 | Val rms_score: 0.4887
41
+ 2025-09-26 06:20:30,167 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0216 | Val rms_score: 0.4862
42
+ 2025-09-26 06:20:39,897 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0220 | Val rms_score: 0.4866
43
+ 2025-09-26 06:20:47,277 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0191 | Val rms_score: 0.4853
44
+ 2025-09-26 06:20:58,400 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0203 | Val rms_score: 0.4871
45
+ 2025-09-26 06:21:07,622 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0189 | Val rms_score: 0.4921
46
+ 2025-09-26 06:21:17,996 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0194 | Val rms_score: 0.4836
47
+ 2025-09-26 06:21:25,147 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0200 | Val rms_score: 0.4860
48
+ 2025-09-26 06:21:34,711 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0197 | Val rms_score: 0.4848
49
+ 2025-09-26 06:21:45,081 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0195 | Val rms_score: 0.4859
50
+ 2025-09-26 06:21:52,660 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0175 | Val rms_score: 0.4878
51
+ 2025-09-26 06:22:02,572 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0187 | Val rms_score: 0.4882
52
+ 2025-09-26 06:22:12,225 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0181 | Val rms_score: 0.4830
53
+ 2025-09-26 06:22:18,916 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0176 | Val rms_score: 0.4846
54
+ 2025-09-26 06:22:29,340 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0184 | Val rms_score: 0.4917
55
+ 2025-09-26 06:22:38,767 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0178 | Val rms_score: 0.4855
56
+ 2025-09-26 06:22:45,725 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0183 | Val rms_score: 0.4858
57
+ 2025-09-26 06:22:55,888 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0170 | Val rms_score: 0.4871
58
+ 2025-09-26 06:23:05,922 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0170 | Val rms_score: 0.4855
59
+ 2025-09-26 06:23:15,236 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0172 | Val rms_score: 0.4923
60
+ 2025-09-26 06:23:22,784 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0165 | Val rms_score: 0.4837
61
+ 2025-09-26 06:23:33,013 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0165 | Val rms_score: 0.4898
62
+ 2025-09-26 06:23:42,773 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0159 | Val rms_score: 0.4815
63
+ 2025-09-26 06:23:50,480 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0153 | Val rms_score: 0.4823
64
+ 2025-09-26 06:24:00,518 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0154 | Val rms_score: 0.4829
65
+ 2025-09-26 06:24:10,327 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0157 | Val rms_score: 0.4878
66
+ 2025-09-26 06:24:17,859 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0161 | Val rms_score: 0.4844
67
+ 2025-09-26 06:24:27,599 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0165 | Val rms_score: 0.4861
68
+ 2025-09-26 06:24:37,748 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0142 | Val rms_score: 0.4875
69
+ 2025-09-26 06:24:47,077 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0149 | Val rms_score: 0.4821
70
+ 2025-09-26 06:24:53,752 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0154 | Val rms_score: 0.4826
71
+ 2025-09-26 06:25:03,940 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0171 | Val rms_score: 0.4880
72
+ 2025-09-26 06:25:13,048 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0155 | Val rms_score: 0.4850
73
+ 2025-09-26 06:25:20,189 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0155 | Val rms_score: 0.4784
74
+ 2025-09-26 06:25:29,084 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0161 | Val rms_score: 0.4862
75
+ 2025-09-26 06:25:38,433 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0144 | Val rms_score: 0.4867
76
+ 2025-09-26 06:25:45,521 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0151 | Val rms_score: 0.4804
77
+ 2025-09-26 06:25:55,610 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0139 | Val rms_score: 0.4867
78
+ 2025-09-26 06:26:07,178 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0141 | Val rms_score: 0.4863
79
+ 2025-09-26 06:26:16,422 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0154 | Val rms_score: 0.4826
80
+ 2025-09-26 06:26:27,818 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0153 | Val rms_score: 0.4882
81
+ 2025-09-26 06:26:37,503 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0143 | Val rms_score: 0.4847
82
+ 2025-09-26 06:26:44,308 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0142 | Val rms_score: 0.4843
83
+ 2025-09-26 06:26:54,590 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0137 | Val rms_score: 0.4862
84
+ 2025-09-26 06:27:04,025 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0149 | Val rms_score: 0.4834
85
+ 2025-09-26 06:27:12,942 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0147 | Val rms_score: 0.4868
86
+ 2025-09-26 06:27:19,819 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0142 | Val rms_score: 0.4846
87
+ 2025-09-26 06:27:28,811 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0139 | Val rms_score: 0.4832
88
+ 2025-09-26 06:27:37,937 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0141 | Val rms_score: 0.4836
89
+ 2025-09-26 06:27:44,744 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0143 | Val rms_score: 0.4830
90
+ 2025-09-26 06:27:54,240 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0149 | Val rms_score: 0.4845
91
+ 2025-09-26 06:28:03,923 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0135 | Val rms_score: 0.4847
92
+ 2025-09-26 06:28:13,100 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0138 | Val rms_score: 0.4839
93
+ 2025-09-26 06:28:20,043 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0132 | Val rms_score: 0.4834
94
+ 2025-09-26 06:28:29,199 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0134 | Val rms_score: 0.4832
95
+ 2025-09-26 06:28:38,418 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0140 | Val rms_score: 0.4830
96
+ 2025-09-26 06:28:45,477 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0114 | Val rms_score: 0.4839
97
+ 2025-09-26 06:28:54,699 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0139 | Val rms_score: 0.4838
98
+ 2025-09-26 06:29:04,792 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0129 | Val rms_score: 0.4862
99
+ 2025-09-26 06:29:13,953 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0129 | Val rms_score: 0.4862
100
+ 2025-09-26 06:29:20,270 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0125 | Val rms_score: 0.4845
101
+ 2025-09-26 06:29:29,794 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0131 | Val rms_score: 0.4844
102
+ 2025-09-26 06:29:39,002 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0127 | Val rms_score: 0.4846
103
+ 2025-09-26 06:29:45,745 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0128 | Val rms_score: 0.4869
104
+ 2025-09-26 06:29:54,621 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0126 | Val rms_score: 0.4874
105
+ 2025-09-26 06:30:03,612 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0122 | Val rms_score: 0.4871
106
+ 2025-09-26 06:30:13,198 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0132 | Val rms_score: 0.4883
107
+ 2025-09-26 06:30:20,012 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0123 | Val rms_score: 0.4846
108
+ 2025-09-26 06:30:28,928 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0123 | Val rms_score: 0.4820
109
+ 2025-09-26 06:30:37,986 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0117 | Val rms_score: 0.4869
110
+ 2025-09-26 06:30:38,739 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Test rms_score: 0.4425
111
+ 2025-09-26 06:30:39,124 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset adme_microsom_stab_r at 2025-09-26_06-30-39
112
+ 2025-09-26 06:30:45,099 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6581 | Val rms_score: 0.5092
113
+ 2025-09-26 06:30:45,099 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Global step of best model: 68
114
+ 2025-09-26 06:30:45,968 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.5092
115
+ 2025-09-26 06:30:55,238 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4115 | Val rms_score: 0.4714
116
+ 2025-09-26 06:30:55,500 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Global step of best model: 136
117
+ 2025-09-26 06:30:56,239 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.4714
118
+ 2025-09-26 06:31:06,335 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2305 | Val rms_score: 0.4808
119
+ 2025-09-26 06:31:13,134 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2178 | Val rms_score: 0.4859
120
+ 2025-09-26 06:31:22,040 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1695 | Val rms_score: 0.4811
121
+ 2025-09-26 06:31:31,078 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1367 | Val rms_score: 0.4835
122
+ 2025-09-26 06:31:40,945 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1039 | Val rms_score: 0.4828
123
+ 2025-09-26 06:31:47,377 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0866 | Val rms_score: 0.4884
124
+ 2025-09-26 06:31:56,760 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0781 | Val rms_score: 0.4979
125
+ 2025-09-26 06:32:06,070 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0634 | Val rms_score: 0.4949
126
+ 2025-09-26 06:32:13,172 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0609 | Val rms_score: 0.4807
127
+ 2025-09-26 06:32:22,934 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0527 | Val rms_score: 0.4882
128
+ 2025-09-26 06:32:32,282 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0480 | Val rms_score: 0.4878
129
+ 2025-09-26 06:32:41,678 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0445 | Val rms_score: 0.4875
130
+ 2025-09-26 06:32:49,096 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0398 | Val rms_score: 0.4908
131
+ 2025-09-26 06:32:58,360 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0384 | Val rms_score: 0.4876
132
+ 2025-09-26 06:33:07,495 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0391 | Val rms_score: 0.4938
133
+ 2025-09-26 06:33:14,105 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0409 | Val rms_score: 0.4881
134
+ 2025-09-26 06:33:22,826 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0324 | Val rms_score: 0.4871
135
+ 2025-09-26 06:33:32,180 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0326 | Val rms_score: 0.4882
136
+ 2025-09-26 06:33:41,225 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0331 | Val rms_score: 0.4898
137
+ 2025-09-26 06:33:47,885 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0284 | Val rms_score: 0.4925
138
+ 2025-09-26 06:33:57,070 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0291 | Val rms_score: 0.4913
139
+ 2025-09-26 06:34:06,197 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0264 | Val rms_score: 0.4958
140
+ 2025-09-26 06:34:13,061 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0278 | Val rms_score: 0.4926
141
+ 2025-09-26 06:34:23,302 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0245 | Val rms_score: 0.4954
142
+ 2025-09-26 06:34:33,364 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0222 | Val rms_score: 0.4913
143
+ 2025-09-26 06:34:40,588 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0276 | Val rms_score: 0.4893
144
+ 2025-09-26 06:34:49,664 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0240 | Val rms_score: 0.4928
145
+ 2025-09-26 06:34:59,704 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0256 | Val rms_score: 0.4895
146
+ 2025-09-26 06:35:09,482 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0261 | Val rms_score: 0.4957
147
+ 2025-09-26 06:35:16,910 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0223 | Val rms_score: 0.4904
148
+ 2025-09-26 06:35:27,053 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0231 | Val rms_score: 0.4819
149
+ 2025-09-26 06:35:36,710 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0208 | Val rms_score: 0.4939
150
+ 2025-09-26 06:35:43,794 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0227 | Val rms_score: 0.4914
151
+ 2025-09-26 06:35:52,848 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0208 | Val rms_score: 0.4902
152
+ 2025-09-26 06:36:02,595 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0215 | Val rms_score: 0.4902
153
+ 2025-09-26 06:36:09,999 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0198 | Val rms_score: 0.4933
154
+ 2025-09-26 06:36:19,623 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0206 | Val rms_score: 0.4910
155
+ 2025-09-26 06:36:29,322 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0194 | Val rms_score: 0.4882
156
+ 2025-09-26 06:36:38,876 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0195 | Val rms_score: 0.4888
157
+ 2025-09-26 06:36:46,379 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0205 | Val rms_score: 0.4922
158
+ 2025-09-26 06:36:56,082 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0163 | Val rms_score: 0.4903
159
+ 2025-09-26 06:37:05,563 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0171 | Val rms_score: 0.4840
160
+ 2025-09-26 06:37:13,372 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0184 | Val rms_score: 0.4907
161
+ 2025-09-26 06:37:22,889 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0188 | Val rms_score: 0.4917
162
+ 2025-09-26 06:37:32,474 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0179 | Val rms_score: 0.4914
163
+ 2025-09-26 06:37:39,382 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0177 | Val rms_score: 0.4909
164
+ 2025-09-26 06:37:49,892 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0160 | Val rms_score: 0.4908
165
+ 2025-09-26 06:37:58,975 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0175 | Val rms_score: 0.4927
166
+ 2025-09-26 06:38:08,268 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0170 | Val rms_score: 0.4894
167
+ 2025-09-26 06:38:15,710 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0169 | Val rms_score: 0.4900
168
+ 2025-09-26 06:38:25,856 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0194 | Val rms_score: 0.4892
169
+ 2025-09-26 06:38:35,526 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0161 | Val rms_score: 0.4901
170
+ 2025-09-26 06:38:42,244 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0164 | Val rms_score: 0.4940
171
+ 2025-09-26 06:38:51,317 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0141 | Val rms_score: 0.4881
172
+ 2025-09-26 06:39:00,907 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0167 | Val rms_score: 0.4891
173
+ 2025-09-26 06:39:10,339 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0162 | Val rms_score: 0.4886
174
+ 2025-09-26 06:39:17,853 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0162 | Val rms_score: 0.4894
175
+ 2025-09-26 06:39:26,825 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0157 | Val rms_score: 0.4872
176
+ 2025-09-26 06:39:36,147 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0153 | Val rms_score: 0.4900
177
+ 2025-09-26 06:39:43,224 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0171 | Val rms_score: 0.4933
178
+ 2025-09-26 06:39:53,297 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0152 | Val rms_score: 0.4861
179
+ 2025-09-26 06:40:02,963 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0144 | Val rms_score: 0.4903
180
+ 2025-09-26 06:40:08,875 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0158 | Val rms_score: 0.4839
181
+ 2025-09-26 06:40:18,365 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0148 | Val rms_score: 0.4872
182
+ 2025-09-26 06:40:28,324 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0150 | Val rms_score: 0.4901
183
+ 2025-09-26 06:40:37,749 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0154 | Val rms_score: 0.4889
184
+ 2025-09-26 06:40:44,064 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0147 | Val rms_score: 0.4883
185
+ 2025-09-26 06:40:53,433 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0152 | Val rms_score: 0.4881
186
+ 2025-09-26 06:41:02,691 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0152 | Val rms_score: 0.4881
187
+ 2025-09-26 06:41:09,955 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0142 | Val rms_score: 0.4889
188
+ 2025-09-26 06:41:19,032 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0156 | Val rms_score: 0.4925
189
+ 2025-09-26 06:41:29,631 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0152 | Val rms_score: 0.4912
190
+ 2025-09-26 06:41:39,057 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0155 | Val rms_score: 0.4919
191
+ 2025-09-26 06:41:45,648 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0153 | Val rms_score: 0.4881
192
+ 2025-09-26 06:41:55,089 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0137 | Val rms_score: 0.4894
193
+ 2025-09-26 06:42:05,203 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0142 | Val rms_score: 0.4909
194
+ 2025-09-26 06:42:12,168 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0132 | Val rms_score: 0.4878
195
+ 2025-09-26 06:42:21,162 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0133 | Val rms_score: 0.4903
196
+ 2025-09-26 06:42:30,423 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0150 | Val rms_score: 0.4905
197
+ 2025-09-26 06:42:38,349 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0141 | Val rms_score: 0.4906
198
+ 2025-09-26 06:42:47,931 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0150 | Val rms_score: 0.4883
199
+ 2025-09-26 06:42:57,280 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0138 | Val rms_score: 0.4894
200
+ 2025-09-26 06:43:06,797 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0138 | Val rms_score: 0.4881
201
+ 2025-09-26 06:43:14,036 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0134 | Val rms_score: 0.4952
202
+ 2025-09-26 06:43:23,833 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0140 | Val rms_score: 0.4926
203
+ 2025-09-26 06:43:33,163 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0134 | Val rms_score: 0.4883
204
+ 2025-09-26 06:43:40,803 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0136 | Val rms_score: 0.4899
205
+ 2025-09-26 06:43:50,515 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0118 | Val rms_score: 0.4883
206
+ 2025-09-26 06:43:59,659 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0136 | Val rms_score: 0.4909
207
+ 2025-09-26 06:44:07,827 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0132 | Val rms_score: 0.4912
208
+ 2025-09-26 06:44:17,877 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0125 | Val rms_score: 0.4893
209
+ 2025-09-26 06:44:27,678 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0125 | Val rms_score: 0.4927
210
+ 2025-09-26 06:44:37,730 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0128 | Val rms_score: 0.4866
211
+ 2025-09-26 06:44:45,231 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0121 | Val rms_score: 0.4896
212
+ 2025-09-26 06:44:54,802 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0124 | Val rms_score: 0.4864
213
+ 2025-09-26 06:45:04,251 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0121 | Val rms_score: 0.4886
214
+ 2025-09-26 06:45:11,312 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0124 | Val rms_score: 0.4853
215
+ 2025-09-26 06:45:20,818 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0132 | Val rms_score: 0.4885
216
+ 2025-09-26 06:45:21,548 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Test rms_score: 0.4430
217
+ 2025-09-26 06:45:22,089 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset adme_microsom_stab_r at 2025-09-26_06-45-22
218
+ 2025-09-26 06:45:30,641 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6287 | Val rms_score: 0.4885
219
+ 2025-09-26 06:45:30,641 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Global step of best model: 68
220
+ 2025-09-26 06:45:31,481 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4885
221
+ 2025-09-26 06:45:38,562 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.3767 | Val rms_score: 0.4630
222
+ 2025-09-26 06:45:38,764 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Global step of best model: 136
223
+ 2025-09-26 06:45:39,396 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.4630
224
+ 2025-09-26 06:45:49,112 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2773 | Val rms_score: 0.4768
225
+ 2025-09-26 06:45:58,375 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2325 | Val rms_score: 0.4692
226
+ 2025-09-26 06:46:05,048 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1555 | Val rms_score: 0.4836
227
+ 2025-09-26 06:46:14,529 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1357 | Val rms_score: 0.4847
228
+ 2025-09-26 06:46:23,826 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1034 | Val rms_score: 0.4849
229
+ 2025-09-26 06:46:33,026 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0938 | Val rms_score: 0.4945
230
+ 2025-09-26 06:46:40,043 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0866 | Val rms_score: 0.4829
231
+ 2025-09-26 06:46:49,513 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0671 | Val rms_score: 0.4832
232
+ 2025-09-26 06:46:59,080 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0635 | Val rms_score: 0.4872
233
+ 2025-09-26 06:47:06,755 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0520 | Val rms_score: 0.4965
234
+ 2025-09-26 06:47:16,410 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0503 | Val rms_score: 0.4854
235
+ 2025-09-26 06:47:25,919 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0496 | Val rms_score: 0.4769
236
+ 2025-09-26 06:47:36,390 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0523 | Val rms_score: 0.4754
237
+ 2025-09-26 06:47:43,419 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0411 | Val rms_score: 0.4915
238
+ 2025-09-26 06:47:53,446 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0374 | Val rms_score: 0.4853
239
+ 2025-09-26 06:48:03,983 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0329 | Val rms_score: 0.4906
240
+ 2025-09-26 06:48:11,890 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0340 | Val rms_score: 0.4827
241
+ 2025-09-26 06:48:21,596 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0314 | Val rms_score: 0.4890
242
+ 2025-09-26 06:48:31,017 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0360 | Val rms_score: 0.4883
243
+ 2025-09-26 06:48:38,531 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0299 | Val rms_score: 0.4920
244
+ 2025-09-26 06:48:47,289 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0289 | Val rms_score: 0.4831
245
+ 2025-09-26 06:48:56,904 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0303 | Val rms_score: 0.4888
246
+ 2025-09-26 06:49:04,271 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0264 | Val rms_score: 0.4856
247
+ 2025-09-26 06:49:14,549 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0242 | Val rms_score: 0.4834
248
+ 2025-09-26 06:49:25,128 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0266 | Val rms_score: 0.4842
249
+ 2025-09-26 06:49:35,300 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0228 | Val rms_score: 0.4940
250
+ 2025-09-26 06:49:42,721 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0236 | Val rms_score: 0.4902
251
+ 2025-09-26 06:49:54,544 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0234 | Val rms_score: 0.4907
252
+ 2025-09-26 06:50:04,329 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0233 | Val rms_score: 0.4843
253
+ 2025-09-26 06:50:12,132 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0233 | Val rms_score: 0.4860
254
+ 2025-09-26 06:50:21,947 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0236 | Val rms_score: 0.4885
255
+ 2025-09-26 06:50:31,661 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0207 | Val rms_score: 0.4850
256
+ 2025-09-26 06:50:39,170 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0218 | Val rms_score: 0.4842
257
+ 2025-09-26 06:50:48,611 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0210 | Val rms_score: 0.4884
258
+ 2025-09-26 06:50:58,032 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0248 | Val rms_score: 0.4935
259
+ 2025-09-26 06:51:04,437 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0209 | Val rms_score: 0.4873
260
+ 2025-09-26 06:51:13,608 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0197 | Val rms_score: 0.4851
261
+ 2025-09-26 06:51:22,982 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0187 | Val rms_score: 0.4882
262
+ 2025-09-26 06:51:32,044 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0194 | Val rms_score: 0.4806
263
+ 2025-09-26 06:51:39,483 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0191 | Val rms_score: 0.4843
264
+ 2025-09-26 06:51:48,666 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0196 | Val rms_score: 0.4926
265
+ 2025-09-26 06:51:58,314 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0196 | Val rms_score: 0.4870
266
+ 2025-09-26 06:52:06,448 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0173 | Val rms_score: 0.4844
267
+ 2025-09-26 06:52:16,091 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0158 | Val rms_score: 0.4837
268
+ 2025-09-26 06:52:25,109 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0172 | Val rms_score: 0.4916
269
+ 2025-09-26 06:52:34,011 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0172 | Val rms_score: 0.4874
270
+ 2025-09-26 06:52:40,669 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0187 | Val rms_score: 0.4871
271
+ 2025-09-26 06:52:49,843 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0170 | Val rms_score: 0.4929
272
+ 2025-09-26 06:52:59,133 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0168 | Val rms_score: 0.4899
273
+ 2025-09-26 06:53:07,310 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0160 | Val rms_score: 0.4920
274
+ 2025-09-26 06:53:17,469 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0133 | Val rms_score: 0.4870
275
+ 2025-09-26 06:53:28,022 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0164 | Val rms_score: 0.4878
276
+ 2025-09-26 06:53:35,775 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0172 | Val rms_score: 0.4882
277
+ 2025-09-26 06:53:46,132 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0139 | Val rms_score: 0.4873
278
+ 2025-09-26 06:53:56,592 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0165 | Val rms_score: 0.4925
279
+ 2025-09-26 06:54:03,227 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0164 | Val rms_score: 0.4832
280
+ 2025-09-26 06:54:13,741 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0173 | Val rms_score: 0.4837
281
+ 2025-09-26 06:54:23,734 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0160 | Val rms_score: 0.4909
282
+ 2025-09-26 06:54:31,467 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0160 | Val rms_score: 0.4859
283
+ 2025-09-26 06:54:41,577 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0145 | Val rms_score: 0.4842
284
+ 2025-09-26 06:54:51,403 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0154 | Val rms_score: 0.4842
285
+ 2025-09-26 06:55:00,368 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0153 | Val rms_score: 0.4851
286
+ 2025-09-26 06:55:07,249 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0162 | Val rms_score: 0.4815
287
+ 2025-09-26 06:55:16,662 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0149 | Val rms_score: 0.4882
288
+ 2025-09-26 06:55:26,630 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0155 | Val rms_score: 0.4845
289
+ 2025-09-26 06:55:33,516 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0149 | Val rms_score: 0.4862
290
+ 2025-09-26 06:55:42,672 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0151 | Val rms_score: 0.4858
291
+ 2025-09-26 06:55:51,902 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0141 | Val rms_score: 0.4847
292
+ 2025-09-26 06:56:01,263 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0163 | Val rms_score: 0.4889
293
+ 2025-09-26 06:56:08,522 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0146 | Val rms_score: 0.4879
294
+ 2025-09-26 06:56:18,395 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0145 | Val rms_score: 0.4910
295
+ 2025-09-26 06:56:29,723 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0151 | Val rms_score: 0.4845
296
+ 2025-09-26 06:56:36,360 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0146 | Val rms_score: 0.4885
297
+ 2025-09-26 06:56:45,422 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0134 | Val rms_score: 0.4860
298
+ 2025-09-26 06:56:55,056 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0138 | Val rms_score: 0.4839
299
+ 2025-09-26 06:57:01,889 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0141 | Val rms_score: 0.4867
300
+ 2025-09-26 06:57:11,429 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0138 | Val rms_score: 0.4847
301
+ 2025-09-26 06:57:21,287 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0147 | Val rms_score: 0.4865
302
+ 2025-09-26 06:57:31,662 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0149 | Val rms_score: 0.4891
303
+ 2025-09-26 06:57:40,926 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0144 | Val rms_score: 0.4878
304
+ 2025-09-26 06:57:51,704 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0133 | Val rms_score: 0.4822
305
+ 2025-09-26 06:58:01,209 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0132 | Val rms_score: 0.4824
306
+ 2025-09-26 06:58:10,536 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0134 | Val rms_score: 0.4876
307
+ 2025-09-26 06:58:16,506 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0126 | Val rms_score: 0.4894
308
+ 2025-09-26 06:58:26,606 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0146 | Val rms_score: 0.4913
309
+ 2025-09-26 06:58:36,454 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0128 | Val rms_score: 0.4894
310
+ 2025-09-26 06:58:45,394 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0132 | Val rms_score: 0.4849
311
+ 2025-09-26 06:58:54,875 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0134 | Val rms_score: 0.4890
312
+ 2025-09-26 06:59:04,364 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0132 | Val rms_score: 0.4875
313
+ 2025-09-26 06:59:13,112 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0139 | Val rms_score: 0.4877
314
+ 2025-09-26 06:59:23,816 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0127 | Val rms_score: 0.4861
315
+ 2025-09-26 06:59:33,203 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0130 | Val rms_score: 0.4874
316
+ 2025-09-26 06:59:42,924 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0128 | Val rms_score: 0.4898
317
+ 2025-09-26 06:59:50,642 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0133 | Val rms_score: 0.4865
318
+ 2025-09-26 07:00:00,677 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0128 | Val rms_score: 0.4843
319
+ 2025-09-26 07:00:09,970 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0135 | Val rms_score: 0.4880
320
+ 2025-09-26 07:00:17,299 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0142 | Val rms_score: 0.4866
321
+ 2025-09-26 07:00:27,521 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0122 | Val rms_score: 0.4853
322
+ 2025-09-26 07:00:28,456 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Test rms_score: 0.4345
323
+ 2025-09-26 07:00:28,853 - logs_modchembert_adme_microsom_stab_r_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.4400, Std Dev: 0.0039
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_permeability_epochs100_batch_size32_20250926_070028.log ADDED
@@ -0,0 +1,343 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 07:00:28,898 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Running benchmark for dataset: adme_permeability
2
+ 2025-09-26 07:00:28,899 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - dataset: adme_permeability, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 07:00:28,906 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset adme_permeability at 2025-09-26_07-00-28
4
+ 2025-09-26 07:00:36,324 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5784 | Val rms_score: 0.4191
5
+ 2025-09-26 07:00:36,324 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 67
6
+ 2025-09-26 07:00:37,089 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4191
7
+ 2025-09-26 07:00:45,219 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.3364 | Val rms_score: 0.3859
8
+ 2025-09-26 07:00:45,423 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 134
9
+ 2025-09-26 07:00:46,177 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3859
10
+ 2025-09-26 07:00:55,944 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.0527 | Val rms_score: 0.3823
11
+ 2025-09-26 07:00:56,192 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 201
12
+ 2025-09-26 07:00:56,825 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.3823
13
+ 2025-09-26 07:01:06,131 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1978 | Val rms_score: 0.3872
14
+ 2025-09-26 07:01:12,449 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1464 | Val rms_score: 0.3854
15
+ 2025-09-26 07:01:21,333 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0552 | Val rms_score: 0.3822
16
+ 2025-09-26 07:01:21,944 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 402
17
+ 2025-09-26 07:01:22,704 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 6 with val rms_score: 0.3822
18
+ 2025-09-26 07:01:31,823 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0951 | Val rms_score: 0.3758
19
+ 2025-09-26 07:01:32,045 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 469
20
+ 2025-09-26 07:01:32,740 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val rms_score: 0.3758
21
+ 2025-09-26 07:01:41,957 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0760 | Val rms_score: 0.3790
22
+ 2025-09-26 07:01:48,034 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0485 | Val rms_score: 0.3810
23
+ 2025-09-26 07:01:57,327 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0606 | Val rms_score: 0.3808
24
+ 2025-09-26 07:02:07,131 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0600 | Val rms_score: 0.3996
25
+ 2025-09-26 07:02:14,706 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0356 | Val rms_score: 0.3847
26
+ 2025-09-26 07:02:23,479 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0452 | Val rms_score: 0.3737
27
+ 2025-09-26 07:02:23,648 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 871
28
+ 2025-09-26 07:02:24,488 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 13 with val rms_score: 0.3737
29
+ 2025-09-26 07:02:33,724 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0452 | Val rms_score: 0.4321
30
+ 2025-09-26 07:02:41,716 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0672 | Val rms_score: 0.3875
31
+ 2025-09-26 07:02:51,464 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0485 | Val rms_score: 0.3881
32
+ 2025-09-26 07:03:01,197 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0441 | Val rms_score: 0.3868
33
+ 2025-09-26 07:03:10,448 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0311 | Val rms_score: 0.3852
34
+ 2025-09-26 07:03:17,292 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0310 | Val rms_score: 0.3821
35
+ 2025-09-26 07:03:25,995 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0314 | Val rms_score: 0.3841
36
+ 2025-09-26 07:03:35,014 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0299 | Val rms_score: 0.3852
37
+ 2025-09-26 07:03:42,447 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0261 | Val rms_score: 0.3792
38
+ 2025-09-26 07:03:51,344 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0278 | Val rms_score: 0.3831
39
+ 2025-09-26 07:04:00,515 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0242 | Val rms_score: 0.3884
40
+ 2025-09-26 07:04:10,326 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0231 | Val rms_score: 0.3852
41
+ 2025-09-26 07:04:17,802 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0240 | Val rms_score: 0.3864
42
+ 2025-09-26 07:04:27,686 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0234 | Val rms_score: 0.3903
43
+ 2025-09-26 07:04:37,387 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0315 | Val rms_score: 0.3789
44
+ 2025-09-26 07:04:45,005 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0233 | Val rms_score: 0.3843
45
+ 2025-09-26 07:04:55,781 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0198 | Val rms_score: 0.3813
46
+ 2025-09-26 07:05:04,874 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0208 | Val rms_score: 0.3840
47
+ 2025-09-26 07:05:12,612 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0202 | Val rms_score: 0.3865
48
+ 2025-09-26 07:05:21,520 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0162 | Val rms_score: 0.3848
49
+ 2025-09-26 07:05:30,902 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0182 | Val rms_score: 0.3793
50
+ 2025-09-26 07:05:40,547 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0175 | Val rms_score: 0.3784
51
+ 2025-09-26 07:05:47,957 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0176 | Val rms_score: 0.3815
52
+ 2025-09-26 07:05:58,508 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0161 | Val rms_score: 0.3763
53
+ 2025-09-26 07:06:07,721 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0162 | Val rms_score: 0.3797
54
+ 2025-09-26 07:06:14,482 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0186 | Val rms_score: 0.3754
55
+ 2025-09-26 07:06:23,783 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0160 | Val rms_score: 0.3755
56
+ 2025-09-26 07:06:33,164 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0168 | Val rms_score: 0.3810
57
+ 2025-09-26 07:06:40,948 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0151 | Val rms_score: 0.3798
58
+ 2025-09-26 07:06:50,701 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0149 | Val rms_score: 0.3783
59
+ 2025-09-26 07:07:00,322 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0143 | Val rms_score: 0.3778
60
+ 2025-09-26 07:07:11,023 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0140 | Val rms_score: 0.3853
61
+ 2025-09-26 07:07:18,067 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0146 | Val rms_score: 0.3783
62
+ 2025-09-26 07:07:28,174 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0139 | Val rms_score: 0.3782
63
+ 2025-09-26 07:07:37,557 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0125 | Val rms_score: 0.3814
64
+ 2025-09-26 07:07:44,299 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0153 | Val rms_score: 0.3826
65
+ 2025-09-26 07:07:53,705 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0138 | Val rms_score: 0.3789
66
+ 2025-09-26 07:08:02,864 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0140 | Val rms_score: 0.3790
67
+ 2025-09-26 07:08:10,236 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0136 | Val rms_score: 0.3755
68
+ 2025-09-26 07:08:19,638 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0141 | Val rms_score: 0.3753
69
+ 2025-09-26 07:08:28,887 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0145 | Val rms_score: 0.3785
70
+ 2025-09-26 07:08:38,047 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0166 | Val rms_score: 0.3772
71
+ 2025-09-26 07:08:44,749 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0162 | Val rms_score: 0.3838
72
+ 2025-09-26 07:08:54,656 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0144 | Val rms_score: 0.3795
73
+ 2025-09-26 07:09:03,525 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0133 | Val rms_score: 0.3742
74
+ 2025-09-26 07:09:09,712 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0138 | Val rms_score: 0.3762
75
+ 2025-09-26 07:09:19,866 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0115 | Val rms_score: 0.3784
76
+ 2025-09-26 07:09:29,185 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0129 | Val rms_score: 0.3775
77
+ 2025-09-26 07:09:38,862 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0111 | Val rms_score: 0.3790
78
+ 2025-09-26 07:09:44,588 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0123 | Val rms_score: 0.3787
79
+ 2025-09-26 07:09:53,130 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0123 | Val rms_score: 0.3789
80
+ 2025-09-26 07:10:02,464 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0123 | Val rms_score: 0.3813
81
+ 2025-09-26 07:10:08,995 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0119 | Val rms_score: 0.3783
82
+ 2025-09-26 07:10:18,876 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0121 | Val rms_score: 0.3786
83
+ 2025-09-26 07:10:27,690 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0110 | Val rms_score: 0.3772
84
+ 2025-09-26 07:10:36,568 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0116 | Val rms_score: 0.3730
85
+ 2025-09-26 07:10:36,752 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 4623
86
+ 2025-09-26 07:10:37,638 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 69 with val rms_score: 0.3730
87
+ 2025-09-26 07:10:44,063 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0114 | Val rms_score: 0.3766
88
+ 2025-09-26 07:10:53,203 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0118 | Val rms_score: 0.3767
89
+ 2025-09-26 07:11:03,051 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0103 | Val rms_score: 0.3755
90
+ 2025-09-26 07:11:09,394 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0116 | Val rms_score: 0.3751
91
+ 2025-09-26 07:11:18,331 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0111 | Val rms_score: 0.3761
92
+ 2025-09-26 07:11:28,488 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0110 | Val rms_score: 0.3784
93
+ 2025-09-26 07:11:37,316 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0109 | Val rms_score: 0.3787
94
+ 2025-09-26 07:11:44,659 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0105 | Val rms_score: 0.3774
95
+ 2025-09-26 07:11:54,235 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0104 | Val rms_score: 0.3763
96
+ 2025-09-26 07:12:03,140 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0110 | Val rms_score: 0.3791
97
+ 2025-09-26 07:12:10,287 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0128 | Val rms_score: 0.3732
98
+ 2025-09-26 07:12:19,756 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0114 | Val rms_score: 0.3749
99
+ 2025-09-26 07:12:29,716 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0112 | Val rms_score: 0.3804
100
+ 2025-09-26 07:12:36,491 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0108 | Val rms_score: 0.3781
101
+ 2025-09-26 07:12:45,800 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0111 | Val rms_score: 0.3764
102
+ 2025-09-26 07:12:55,031 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0103 | Val rms_score: 0.3765
103
+ 2025-09-26 07:13:04,470 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0104 | Val rms_score: 0.3764
104
+ 2025-09-26 07:13:12,066 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0102 | Val rms_score: 0.3754
105
+ 2025-09-26 07:13:21,482 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0101 | Val rms_score: 0.3785
106
+ 2025-09-26 07:13:30,763 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0112 | Val rms_score: 0.3795
107
+ 2025-09-26 07:13:39,385 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0101 | Val rms_score: 0.3785
108
+ 2025-09-26 07:13:49,506 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0108 | Val rms_score: 0.3790
109
+ 2025-09-26 07:13:59,703 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0109 | Val rms_score: 0.3777
110
+ 2025-09-26 07:14:06,440 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0097 | Val rms_score: 0.3762
111
+ 2025-09-26 07:14:16,493 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0102 | Val rms_score: 0.3764
112
+ 2025-09-26 07:14:26,104 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0099 | Val rms_score: 0.3756
113
+ 2025-09-26 07:14:35,360 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0093 | Val rms_score: 0.3768
114
+ 2025-09-26 07:14:42,721 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0097 | Val rms_score: 0.3770
115
+ 2025-09-26 07:14:51,989 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0102 | Val rms_score: 0.3787
116
+ 2025-09-26 07:15:01,303 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0105 | Val rms_score: 0.3750
117
+ 2025-09-26 07:15:07,987 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0103 | Val rms_score: 0.3770
118
+ 2025-09-26 07:15:08,861 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Test rms_score: 0.4956
119
+ 2025-09-26 07:15:09,370 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset adme_permeability at 2025-09-26_07-15-09
120
+ 2025-09-26 07:15:17,234 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5224 | Val rms_score: 0.4444
121
+ 2025-09-26 07:15:17,234 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 67
122
+ 2025-09-26 07:15:17,968 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4444
123
+ 2025-09-26 07:15:27,428 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.3309 | Val rms_score: 0.3877
124
+ 2025-09-26 07:15:27,639 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 134
125
+ 2025-09-26 07:15:28,372 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3877
126
+ 2025-09-26 07:15:37,452 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.0137 | Val rms_score: 0.3770
127
+ 2025-09-26 07:15:35,196 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 201
128
+ 2025-09-26 07:15:36,007 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.3770
129
+ 2025-09-26 07:15:45,884 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1800 | Val rms_score: 0.3895
130
+ 2025-09-26 07:15:54,897 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1536 | Val rms_score: 0.4444
131
+ 2025-09-26 07:16:04,096 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0801 | Val rms_score: 0.3896
132
+ 2025-09-26 07:16:11,766 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0993 | Val rms_score: 0.3879
133
+ 2025-09-26 07:16:20,982 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0924 | Val rms_score: 0.3610
134
+ 2025-09-26 07:16:21,182 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 536
135
+ 2025-09-26 07:16:22,044 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val rms_score: 0.3610
136
+ 2025-09-26 07:16:31,426 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0801 | Val rms_score: 0.3586
137
+ 2025-09-26 07:16:31,739 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 603
138
+ 2025-09-26 07:16:32,513 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 9 with val rms_score: 0.3586
139
+ 2025-09-26 07:16:39,616 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0700 | Val rms_score: 0.3613
140
+ 2025-09-26 07:16:48,839 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0591 | Val rms_score: 0.3916
141
+ 2025-09-26 07:16:59,164 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0459 | Val rms_score: 0.3847
142
+ 2025-09-26 07:17:06,305 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0525 | Val rms_score: 0.3831
143
+ 2025-09-26 07:17:16,221 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0520 | Val rms_score: 0.3709
144
+ 2025-09-26 07:17:27,049 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0361 | Val rms_score: 0.3748
145
+ 2025-09-26 07:17:36,303 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0389 | Val rms_score: 0.3778
146
+ 2025-09-26 07:17:43,265 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0383 | Val rms_score: 0.3696
147
+ 2025-09-26 07:17:51,996 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0249 | Val rms_score: 0.3780
148
+ 2025-09-26 07:18:01,157 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0322 | Val rms_score: 0.3696
149
+ 2025-09-26 07:18:07,921 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0314 | Val rms_score: 0.3738
150
+ 2025-09-26 07:18:17,668 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0312 | Val rms_score: 0.3735
151
+ 2025-09-26 07:18:27,548 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0286 | Val rms_score: 0.3936
152
+ 2025-09-26 07:18:34,234 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0394 | Val rms_score: 0.3756
153
+ 2025-09-26 07:18:43,333 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0281 | Val rms_score: 0.3848
154
+ 2025-09-26 07:18:52,636 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0279 | Val rms_score: 0.3752
155
+ 2025-09-26 07:19:02,539 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0255 | Val rms_score: 0.3703
156
+ 2025-09-26 07:19:10,168 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0239 | Val rms_score: 0.3705
157
+ 2025-09-26 07:19:19,939 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0368 | Val rms_score: 0.3783
158
+ 2025-09-26 07:19:29,388 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0263 | Val rms_score: 0.3740
159
+ 2025-09-26 07:19:37,130 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0297 | Val rms_score: 0.3738
160
+ 2025-09-26 07:19:46,421 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0259 | Val rms_score: 0.3746
161
+ 2025-09-26 07:19:56,094 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0209 | Val rms_score: 0.3725
162
+ 2025-09-26 07:20:05,098 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0188 | Val rms_score: 0.3724
163
+ 2025-09-26 07:20:12,102 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0201 | Val rms_score: 0.3728
164
+ 2025-09-26 07:20:21,311 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0182 | Val rms_score: 0.3729
165
+ 2025-09-26 07:20:30,504 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0154 | Val rms_score: 0.3708
166
+ 2025-09-26 07:20:38,464 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0166 | Val rms_score: 0.3737
167
+ 2025-09-26 07:20:48,030 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0182 | Val rms_score: 0.3702
168
+ 2025-09-26 07:20:57,087 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0176 | Val rms_score: 0.3735
169
+ 2025-09-26 07:21:04,068 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0194 | Val rms_score: 0.3722
170
+ 2025-09-26 07:21:13,941 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0168 | Val rms_score: 0.3713
171
+ 2025-09-26 07:21:23,748 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0171 | Val rms_score: 0.3726
172
+ 2025-09-26 07:21:33,180 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0157 | Val rms_score: 0.3707
173
+ 2025-09-26 07:21:40,261 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0164 | Val rms_score: 0.3716
174
+ 2025-09-26 07:21:51,746 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0152 | Val rms_score: 0.3704
175
+ 2025-09-26 07:22:01,919 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0152 | Val rms_score: 0.3712
176
+ 2025-09-26 07:22:09,195 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0148 | Val rms_score: 0.3711
177
+ 2025-09-26 07:22:18,826 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0157 | Val rms_score: 0.3727
178
+ 2025-09-26 07:22:28,402 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0139 | Val rms_score: 0.3710
179
+ 2025-09-26 07:22:35,057 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0145 | Val rms_score: 0.3704
180
+ 2025-09-26 07:22:44,727 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0149 | Val rms_score: 0.3712
181
+ 2025-09-26 07:22:54,465 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0142 | Val rms_score: 0.3723
182
+ 2025-09-26 07:23:03,617 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0138 | Val rms_score: 0.3743
183
+ 2025-09-26 07:23:10,625 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0133 | Val rms_score: 0.3704
184
+ 2025-09-26 07:23:20,913 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0131 | Val rms_score: 0.3741
185
+ 2025-09-26 07:23:31,143 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0142 | Val rms_score: 0.3690
186
+ 2025-09-26 07:23:38,764 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0126 | Val rms_score: 0.3701
187
+ 2025-09-26 07:23:48,423 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0128 | Val rms_score: 0.3728
188
+ 2025-09-26 07:23:57,991 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0147 | Val rms_score: 0.3689
189
+ 2025-09-26 07:24:06,442 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0126 | Val rms_score: 0.3701
190
+ 2025-09-26 07:24:16,045 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0141 | Val rms_score: 0.3742
191
+ 2025-09-26 07:24:26,496 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0120 | Val rms_score: 0.3689
192
+ 2025-09-26 07:24:33,240 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0126 | Val rms_score: 0.3712
193
+ 2025-09-26 07:24:42,643 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0120 | Val rms_score: 0.3701
194
+ 2025-09-26 07:24:52,172 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0114 | Val rms_score: 0.3700
195
+ 2025-09-26 07:25:01,908 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0131 | Val rms_score: 0.3680
196
+ 2025-09-26 07:25:09,663 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0127 | Val rms_score: 0.3686
197
+ 2025-09-26 07:25:19,609 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0121 | Val rms_score: 0.3699
198
+ 2025-09-26 07:25:29,662 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0115 | Val rms_score: 0.3712
199
+ 2025-09-26 07:25:36,712 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0116 | Val rms_score: 0.3716
200
+ 2025-09-26 07:25:46,698 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0120 | Val rms_score: 0.3693
201
+ 2025-09-26 07:25:55,930 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0125 | Val rms_score: 0.3674
202
+ 2025-09-26 07:26:02,438 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0115 | Val rms_score: 0.3722
203
+ 2025-09-26 07:26:11,208 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0116 | Val rms_score: 0.3737
204
+ 2025-09-26 07:26:21,779 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0108 | Val rms_score: 0.3690
205
+ 2025-09-26 07:26:30,597 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0122 | Val rms_score: 0.3665
206
+ 2025-09-26 07:26:37,554 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0166 | Val rms_score: 0.3732
207
+ 2025-09-26 07:26:46,343 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0131 | Val rms_score: 0.3729
208
+ 2025-09-26 07:26:55,688 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0138 | Val rms_score: 0.3699
209
+ 2025-09-26 07:27:02,389 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0113 | Val rms_score: 0.3675
210
+ 2025-09-26 07:27:11,836 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0125 | Val rms_score: 0.3661
211
+ 2025-09-26 07:27:21,715 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0121 | Val rms_score: 0.3665
212
+ 2025-09-26 07:27:31,063 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0124 | Val rms_score: 0.3678
213
+ 2025-09-26 07:27:38,098 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0115 | Val rms_score: 0.3654
214
+ 2025-09-26 07:27:47,875 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0115 | Val rms_score: 0.3669
215
+ 2025-09-26 07:27:58,186 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0112 | Val rms_score: 0.3668
216
+ 2025-09-26 07:28:06,158 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0105 | Val rms_score: 0.3653
217
+ 2025-09-26 07:28:15,229 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0108 | Val rms_score: 0.3653
218
+ 2025-09-26 07:28:24,717 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0103 | Val rms_score: 0.3672
219
+ 2025-09-26 07:28:32,515 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0101 | Val rms_score: 0.3659
220
+ 2025-09-26 07:28:41,609 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0101 | Val rms_score: 0.3704
221
+ 2025-09-26 07:28:51,637 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0144 | Val rms_score: 0.3593
222
+ 2025-09-26 07:29:01,202 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0106 | Val rms_score: 0.3629
223
+ 2025-09-26 07:29:08,798 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0115 | Val rms_score: 0.3635
224
+ 2025-09-26 07:29:19,080 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0106 | Val rms_score: 0.3642
225
+ 2025-09-26 07:29:29,064 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0109 | Val rms_score: 0.3658
226
+ 2025-09-26 07:29:36,925 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0106 | Val rms_score: 0.3667
227
+ 2025-09-26 07:29:46,439 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0108 | Val rms_score: 0.3642
228
+ 2025-09-26 07:29:55,880 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0104 | Val rms_score: 0.3669
229
+ 2025-09-26 07:30:02,468 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0106 | Val rms_score: 0.3663
230
+ 2025-09-26 07:30:03,293 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Test rms_score: 0.4804
231
+ 2025-09-26 07:30:03,759 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset adme_permeability at 2025-09-26_07-30-03
232
+ 2025-09-26 07:30:11,780 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.5112 | Val rms_score: 0.4157
233
+ 2025-09-26 07:30:11,780 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 67
234
+ 2025-09-26 07:30:12,620 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4157
235
+ 2025-09-26 07:30:21,821 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.2978 | Val rms_score: 0.3889
236
+ 2025-09-26 07:30:22,037 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 134
237
+ 2025-09-26 07:30:22,697 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3889
238
+ 2025-09-26 07:30:29,331 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.0498 | Val rms_score: 0.3880
239
+ 2025-09-26 07:30:29,605 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 201
240
+ 2025-09-26 07:30:30,253 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.3880
241
+ 2025-09-26 07:30:40,647 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2052 | Val rms_score: 0.3793
242
+ 2025-09-26 07:30:40,862 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 268
243
+ 2025-09-26 07:30:41,595 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.3793
244
+ 2025-09-26 07:30:50,468 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1500 | Val rms_score: 0.3810
245
+ 2025-09-26 07:30:59,930 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0349 | Val rms_score: 0.3810
246
+ 2025-09-26 07:31:06,775 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0970 | Val rms_score: 0.3720
247
+ 2025-09-26 07:31:06,985 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Global step of best model: 469
248
+ 2025-09-26 07:31:07,623 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val rms_score: 0.3720
249
+ 2025-09-26 07:31:16,426 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0738 | Val rms_score: 0.3762
250
+ 2025-09-26 07:31:25,814 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0690 | Val rms_score: 0.3905
251
+ 2025-09-26 07:31:32,001 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0928 | Val rms_score: 0.3875
252
+ 2025-09-26 07:31:40,664 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0790 | Val rms_score: 0.3970
253
+ 2025-09-26 07:31:50,463 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0923 | Val rms_score: 0.3874
254
+ 2025-09-26 07:31:59,196 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0784 | Val rms_score: 0.3907
255
+ 2025-09-26 07:32:05,006 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0526 | Val rms_score: 0.3903
256
+ 2025-09-26 07:32:14,938 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0357 | Val rms_score: 0.3945
257
+ 2025-09-26 07:32:24,420 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0431 | Val rms_score: 0.3844
258
+ 2025-09-26 07:32:31,204 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0421 | Val rms_score: 0.3938
259
+ 2025-09-26 07:32:39,329 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0439 | Val rms_score: 0.3881
260
+ 2025-09-26 07:32:48,170 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0347 | Val rms_score: 0.3890
261
+ 2025-09-26 07:32:56,683 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0312 | Val rms_score: 0.3867
262
+ 2025-09-26 07:33:03,503 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0213 | Val rms_score: 0.3913
263
+ 2025-09-26 07:33:13,552 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0301 | Val rms_score: 0.3884
264
+ 2025-09-26 07:33:22,463 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0295 | Val rms_score: 0.3937
265
+ 2025-09-26 07:33:29,671 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0292 | Val rms_score: 0.3882
266
+ 2025-09-26 07:33:38,873 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0259 | Val rms_score: 0.3867
267
+ 2025-09-26 07:33:48,667 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0255 | Val rms_score: 0.3859
268
+ 2025-09-26 07:33:58,178 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0266 | Val rms_score: 0.3873
269
+ 2025-09-26 07:34:05,966 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0234 | Val rms_score: 0.3896
270
+ 2025-09-26 07:34:15,360 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0217 | Val rms_score: 0.3879
271
+ 2025-09-26 07:34:26,091 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0186 | Val rms_score: 0.3853
272
+ 2025-09-26 07:34:33,062 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0217 | Val rms_score: 0.3874
273
+ 2025-09-26 07:34:42,714 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0214 | Val rms_score: 0.3860
274
+ 2025-09-26 07:34:51,457 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0178 | Val rms_score: 0.3858
275
+ 2025-09-26 07:34:58,292 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0194 | Val rms_score: 0.3908
276
+ 2025-09-26 07:35:07,819 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0175 | Val rms_score: 0.3935
277
+ 2025-09-26 07:35:17,760 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0254 | Val rms_score: 0.3978
278
+ 2025-09-26 07:35:27,530 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0303 | Val rms_score: 0.3851
279
+ 2025-09-26 07:35:34,438 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0219 | Val rms_score: 0.3837
280
+ 2025-09-26 07:35:43,557 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0181 | Val rms_score: 0.3869
281
+ 2025-09-26 07:35:52,992 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0175 | Val rms_score: 0.3870
282
+ 2025-09-26 07:35:59,255 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0179 | Val rms_score: 0.3860
283
+ 2025-09-26 07:36:09,050 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0157 | Val rms_score: 0.3834
284
+ 2025-09-26 07:36:18,322 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0169 | Val rms_score: 0.3864
285
+ 2025-09-26 07:36:27,413 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0160 | Val rms_score: 0.3829
286
+ 2025-09-26 07:36:35,547 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0165 | Val rms_score: 0.3882
287
+ 2025-09-26 07:36:45,303 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0159 | Val rms_score: 0.3836
288
+ 2025-09-26 07:36:55,166 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0163 | Val rms_score: 0.3843
289
+ 2025-09-26 07:37:01,804 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0164 | Val rms_score: 0.3837
290
+ 2025-09-26 07:37:11,427 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0162 | Val rms_score: 0.3825
291
+ 2025-09-26 07:37:20,890 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0155 | Val rms_score: 0.3937
292
+ 2025-09-26 07:37:28,132 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0177 | Val rms_score: 0.3855
293
+ 2025-09-26 07:37:37,543 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0174 | Val rms_score: 0.3861
294
+ 2025-09-26 07:37:46,594 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0230 | Val rms_score: 0.3841
295
+ 2025-09-26 07:37:55,346 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0186 | Val rms_score: 0.3828
296
+ 2025-09-26 07:38:02,717 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0180 | Val rms_score: 0.3844
297
+ 2025-09-26 07:38:11,833 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0172 | Val rms_score: 0.3817
298
+ 2025-09-26 07:38:22,373 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0182 | Val rms_score: 0.3885
299
+ 2025-09-26 07:38:29,173 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0187 | Val rms_score: 0.3857
300
+ 2025-09-26 07:38:38,231 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0166 | Val rms_score: 0.3848
301
+ 2025-09-26 07:38:49,102 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0170 | Val rms_score: 0.3817
302
+ 2025-09-26 07:38:56,129 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0153 | Val rms_score: 0.3839
303
+ 2025-09-26 07:39:05,625 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0140 | Val rms_score: 0.3827
304
+ 2025-09-26 07:39:14,239 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0122 | Val rms_score: 0.3801
305
+ 2025-09-26 07:39:23,067 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0138 | Val rms_score: 0.3809
306
+ 2025-09-26 07:39:29,703 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0144 | Val rms_score: 0.3804
307
+ 2025-09-26 07:39:39,425 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0157 | Val rms_score: 0.3818
308
+ 2025-09-26 07:39:49,735 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0133 | Val rms_score: 0.3809
309
+ 2025-09-26 07:39:56,924 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0126 | Val rms_score: 0.3789
310
+ 2025-09-26 07:40:05,910 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0112 | Val rms_score: 0.3802
311
+ 2025-09-26 07:40:15,541 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0120 | Val rms_score: 0.3780
312
+ 2025-09-26 07:40:24,718 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0119 | Val rms_score: 0.3801
313
+ 2025-09-26 07:40:32,560 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0133 | Val rms_score: 0.3820
314
+ 2025-09-26 07:40:42,183 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0120 | Val rms_score: 0.3829
315
+ 2025-09-26 07:40:50,963 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0125 | Val rms_score: 0.3793
316
+ 2025-09-26 07:40:58,879 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0107 | Val rms_score: 0.3815
317
+ 2025-09-26 07:41:07,882 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0130 | Val rms_score: 0.3862
318
+ 2025-09-26 07:41:17,326 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0253 | Val rms_score: 0.3837
319
+ 2025-09-26 07:41:23,784 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0159 | Val rms_score: 0.3781
320
+ 2025-09-26 07:41:32,795 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0166 | Val rms_score: 0.3748
321
+ 2025-09-26 07:41:41,522 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0152 | Val rms_score: 0.3760
322
+ 2025-09-26 07:41:50,219 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0126 | Val rms_score: 0.3759
323
+ 2025-09-26 07:41:57,048 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0132 | Val rms_score: 0.3789
324
+ 2025-09-26 07:42:05,906 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0134 | Val rms_score: 0.3776
325
+ 2025-09-26 07:42:14,729 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0115 | Val rms_score: 0.3769
326
+ 2025-09-26 07:42:23,806 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0121 | Val rms_score: 0.3770
327
+ 2025-09-26 07:42:30,642 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0125 | Val rms_score: 0.3800
328
+ 2025-09-26 07:42:40,001 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0114 | Val rms_score: 0.3786
329
+ 2025-09-26 07:42:49,472 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0121 | Val rms_score: 0.3779
330
+ 2025-09-26 07:42:56,003 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0120 | Val rms_score: 0.3780
331
+ 2025-09-26 07:43:06,060 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0118 | Val rms_score: 0.3800
332
+ 2025-09-26 07:43:15,530 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0115 | Val rms_score: 0.3783
333
+ 2025-09-26 07:43:22,463 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0111 | Val rms_score: 0.3768
334
+ 2025-09-26 07:43:31,992 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0126 | Val rms_score: 0.3780
335
+ 2025-09-26 07:43:41,066 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0115 | Val rms_score: 0.3783
336
+ 2025-09-26 07:43:50,494 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0120 | Val rms_score: 0.3791
337
+ 2025-09-26 07:43:57,043 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0118 | Val rms_score: 0.3778
338
+ 2025-09-26 07:44:07,183 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0149 | Val rms_score: 0.3766
339
+ 2025-09-26 07:44:17,103 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0118 | Val rms_score: 0.3768
340
+ 2025-09-26 07:44:24,472 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0115 | Val rms_score: 0.3782
341
+ 2025-09-26 07:44:34,052 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0111 | Val rms_score: 0.3764
342
+ 2025-09-26 07:44:34,794 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Test rms_score: 0.4938
343
+ 2025-09-26 07:44:35,283 - logs_modchembert_adme_permeability_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.4899, Std Dev: 0.0068
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_ppb_h_epochs100_batch_size32_20250926_075041.log ADDED
@@ -0,0 +1,315 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 07:50:41,642 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Running benchmark for dataset: adme_ppb_h
2
+ 2025-09-26 07:50:41,642 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - dataset: adme_ppb_h, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 07:50:41,650 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset adme_ppb_h at 2025-09-26_07-50-41
4
+ 2025-09-26 07:50:49,499 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.8750 | Val rms_score: 0.5077
5
+ 2025-09-26 07:50:49,499 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Global step of best model: 5
6
+ 2025-09-26 07:50:50,307 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.5077
7
+ 2025-09-26 07:50:52,548 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4250 | Val rms_score: 0.5747
8
+ 2025-09-26 07:50:54,604 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2188 | Val rms_score: 0.6526
9
+ 2025-09-26 07:50:56,788 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1781 | Val rms_score: 0.6461
10
+ 2025-09-26 07:50:59,400 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1141 | Val rms_score: 0.6382
11
+ 2025-09-26 07:51:01,760 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0867 | Val rms_score: 0.6298
12
+ 2025-09-26 07:51:04,884 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0637 | Val rms_score: 0.6311
13
+ 2025-09-26 07:51:07,805 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0443 | Val rms_score: 0.6493
14
+ 2025-09-26 07:51:10,550 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0350 | Val rms_score: 0.6538
15
+ 2025-09-26 07:51:13,471 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0254 | Val rms_score: 0.6713
16
+ 2025-09-26 07:51:15,813 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0246 | Val rms_score: 0.6821
17
+ 2025-09-26 07:51:18,893 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0170 | Val rms_score: 0.6609
18
+ 2025-09-26 07:51:21,770 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0156 | Val rms_score: 0.6766
19
+ 2025-09-26 07:51:24,731 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0141 | Val rms_score: 0.6746
20
+ 2025-09-26 07:51:27,664 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0107 | Val rms_score: 0.6656
21
+ 2025-09-26 07:51:30,236 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0104 | Val rms_score: 0.6706
22
+ 2025-09-26 07:51:33,415 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0091 | Val rms_score: 0.6836
23
+ 2025-09-26 07:51:36,156 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0082 | Val rms_score: 0.6771
24
+ 2025-09-26 07:51:38,604 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0088 | Val rms_score: 0.6760
25
+ 2025-09-26 07:51:41,075 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0090 | Val rms_score: 0.6835
26
+ 2025-09-26 07:51:43,799 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0072 | Val rms_score: 0.6681
27
+ 2025-09-26 07:51:46,697 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0074 | Val rms_score: 0.6731
28
+ 2025-09-26 07:51:49,285 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0061 | Val rms_score: 0.6754
29
+ 2025-09-26 07:51:52,237 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0064 | Val rms_score: 0.6774
30
+ 2025-09-26 07:51:55,105 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0060 | Val rms_score: 0.6851
31
+ 2025-09-26 07:51:58,060 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0057 | Val rms_score: 0.6791
32
+ 2025-09-26 07:52:01,045 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0049 | Val rms_score: 0.6812
33
+ 2025-09-26 07:52:03,721 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0058 | Val rms_score: 0.6800
34
+ 2025-09-26 07:52:06,669 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0052 | Val rms_score: 0.6783
35
+ 2025-09-26 07:52:09,321 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0054 | Val rms_score: 0.6825
36
+ 2025-09-26 07:52:11,931 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0050 | Val rms_score: 0.6747
37
+ 2025-09-26 07:52:14,924 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0047 | Val rms_score: 0.6773
38
+ 2025-09-26 07:52:17,532 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0043 | Val rms_score: 0.6772
39
+ 2025-09-26 07:52:20,132 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0039 | Val rms_score: 0.6760
40
+ 2025-09-26 07:52:22,860 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0046 | Val rms_score: 0.6769
41
+ 2025-09-26 07:52:25,577 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0047 | Val rms_score: 0.6786
42
+ 2025-09-26 07:52:28,459 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0039 | Val rms_score: 0.6779
43
+ 2025-09-26 07:52:31,163 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0049 | Val rms_score: 0.6858
44
+ 2025-09-26 07:52:33,804 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0056 | Val rms_score: 0.6751
45
+ 2025-09-26 07:52:36,555 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0052 | Val rms_score: 0.6795
46
+ 2025-09-26 07:52:39,204 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0046 | Val rms_score: 0.6692
47
+ 2025-09-26 07:52:42,304 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0050 | Val rms_score: 0.6881
48
+ 2025-09-26 07:52:45,054 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0056 | Val rms_score: 0.6710
49
+ 2025-09-26 07:52:47,854 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0040 | Val rms_score: 0.6727
50
+ 2025-09-26 07:52:50,753 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0040 | Val rms_score: 0.6726
51
+ 2025-09-26 07:52:53,385 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0042 | Val rms_score: 0.6768
52
+ 2025-09-26 07:52:56,312 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0040 | Val rms_score: 0.6733
53
+ 2025-09-26 07:52:58,958 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0044 | Val rms_score: 0.6802
54
+ 2025-09-26 07:53:01,515 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0039 | Val rms_score: 0.6825
55
+ 2025-09-26 07:53:04,217 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0041 | Val rms_score: 0.6670
56
+ 2025-09-26 07:53:06,886 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0042 | Val rms_score: 0.6799
57
+ 2025-09-26 07:53:09,990 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0045 | Val rms_score: 0.6702
58
+ 2025-09-26 07:53:12,736 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0043 | Val rms_score: 0.6677
59
+ 2025-09-26 07:53:15,639 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0031 | Val rms_score: 0.6711
60
+ 2025-09-26 07:53:18,555 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0038 | Val rms_score: 0.6671
61
+ 2025-09-26 07:53:21,420 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0042 | Val rms_score: 0.6658
62
+ 2025-09-26 07:53:24,926 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0041 | Val rms_score: 0.6820
63
+ 2025-09-26 07:53:27,707 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0042 | Val rms_score: 0.6619
64
+ 2025-09-26 07:53:30,527 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0053 | Val rms_score: 0.6798
65
+ 2025-09-26 07:53:33,324 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0051 | Val rms_score: 0.6677
66
+ 2025-09-26 07:53:36,384 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0043 | Val rms_score: 0.6818
67
+ 2025-09-26 07:53:39,460 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0054 | Val rms_score: 0.6705
68
+ 2025-09-26 07:53:41,781 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0037 | Val rms_score: 0.6748
69
+ 2025-09-26 07:53:44,049 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0043 | Val rms_score: 0.6715
70
+ 2025-09-26 07:53:46,223 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0040 | Val rms_score: 0.6721
71
+ 2025-09-26 07:53:48,641 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0034 | Val rms_score: 0.6663
72
+ 2025-09-26 07:53:51,312 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0043 | Val rms_score: 0.6681
73
+ 2025-09-26 07:53:53,618 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0041 | Val rms_score: 0.6735
74
+ 2025-09-26 07:53:55,892 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0038 | Val rms_score: 0.6683
75
+ 2025-09-26 07:53:58,391 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0040 | Val rms_score: 0.6711
76
+ 2025-09-26 07:54:00,703 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0043 | Val rms_score: 0.6677
77
+ 2025-09-26 07:54:03,162 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0048 | Val rms_score: 0.6687
78
+ 2025-09-26 07:54:05,447 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0041 | Val rms_score: 0.6602
79
+ 2025-09-26 07:54:07,656 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0048 | Val rms_score: 0.6805
80
+ 2025-09-26 07:54:10,002 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0033 | Val rms_score: 0.6630
81
+ 2025-09-26 07:54:12,317 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0046 | Val rms_score: 0.6723
82
+ 2025-09-26 07:54:14,813 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0041 | Val rms_score: 0.6656
83
+ 2025-09-26 07:54:17,158 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0038 | Val rms_score: 0.6710
84
+ 2025-09-26 07:54:19,415 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0049 | Val rms_score: 0.6661
85
+ 2025-09-26 07:54:21,688 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0038 | Val rms_score: 0.6675
86
+ 2025-09-26 07:54:23,926 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0031 | Val rms_score: 0.6595
87
+ 2025-09-26 07:54:26,440 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0034 | Val rms_score: 0.6637
88
+ 2025-09-26 07:54:28,636 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0030 | Val rms_score: 0.6686
89
+ 2025-09-26 07:54:30,817 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0032 | Val rms_score: 0.6618
90
+ 2025-09-26 07:54:33,001 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0037 | Val rms_score: 0.6610
91
+ 2025-09-26 07:54:35,208 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0039 | Val rms_score: 0.6684
92
+ 2025-09-26 07:54:37,700 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0035 | Val rms_score: 0.6655
93
+ 2025-09-26 07:54:39,968 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0034 | Val rms_score: 0.6678
94
+ 2025-09-26 07:54:42,163 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0042 | Val rms_score: 0.6662
95
+ 2025-09-26 07:54:44,462 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0034 | Val rms_score: 0.6700
96
+ 2025-09-26 07:54:46,692 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0031 | Val rms_score: 0.6597
97
+ 2025-09-26 07:54:49,463 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0040 | Val rms_score: 0.6778
98
+ 2025-09-26 07:54:51,779 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0041 | Val rms_score: 0.6519
99
+ 2025-09-26 07:54:53,986 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0034 | Val rms_score: 0.6792
100
+ 2025-09-26 07:54:56,236 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0047 | Val rms_score: 0.6689
101
+ 2025-09-26 07:54:58,469 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0044 | Val rms_score: 0.6667
102
+ 2025-09-26 07:55:01,088 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0029 | Val rms_score: 0.6636
103
+ 2025-09-26 07:55:03,294 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0040 | Val rms_score: 0.6602
104
+ 2025-09-26 07:55:05,486 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0030 | Val rms_score: 0.6594
105
+ 2025-09-26 07:55:07,700 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0030 | Val rms_score: 0.6537
106
+ 2025-09-26 07:55:08,191 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Test rms_score: 0.9063
107
+ 2025-09-26 07:55:08,474 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset adme_ppb_h at 2025-09-26_07-55-08
108
+ 2025-09-26 07:55:10,325 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.8375 | Val rms_score: 0.5057
109
+ 2025-09-26 07:55:10,325 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Global step of best model: 5
110
+ 2025-09-26 07:55:10,950 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.5057
111
+ 2025-09-26 07:55:13,398 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4156 | Val rms_score: 0.6027
112
+ 2025-09-26 07:55:15,668 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2219 | Val rms_score: 0.6164
113
+ 2025-09-26 07:55:17,997 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1688 | Val rms_score: 0.6507
114
+ 2025-09-26 07:55:20,366 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1094 | Val rms_score: 0.6216
115
+ 2025-09-26 07:55:22,728 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0805 | Val rms_score: 0.6379
116
+ 2025-09-26 07:55:25,326 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0570 | Val rms_score: 0.6270
117
+ 2025-09-26 07:55:27,593 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0402 | Val rms_score: 0.6639
118
+ 2025-09-26 07:55:29,899 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0316 | Val rms_score: 0.6443
119
+ 2025-09-26 07:55:32,098 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0252 | Val rms_score: 0.6599
120
+ 2025-09-26 07:55:34,591 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0229 | Val rms_score: 0.6755
121
+ 2025-09-26 07:55:37,250 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0174 | Val rms_score: 0.6510
122
+ 2025-09-26 07:55:39,631 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0166 | Val rms_score: 0.6755
123
+ 2025-09-26 07:55:41,928 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0126 | Val rms_score: 0.6754
124
+ 2025-09-26 07:55:44,106 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0104 | Val rms_score: 0.6726
125
+ 2025-09-26 07:55:46,400 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0102 | Val rms_score: 0.6797
126
+ 2025-09-26 07:55:48,908 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0081 | Val rms_score: 0.6793
127
+ 2025-09-26 07:55:51,086 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0088 | Val rms_score: 0.6737
128
+ 2025-09-26 07:55:53,276 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0077 | Val rms_score: 0.6767
129
+ 2025-09-26 07:55:55,464 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0094 | Val rms_score: 0.6727
130
+ 2025-09-26 07:55:57,880 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0066 | Val rms_score: 0.6728
131
+ 2025-09-26 07:56:00,557 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0060 | Val rms_score: 0.6853
132
+ 2025-09-26 07:56:02,749 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0061 | Val rms_score: 0.6818
133
+ 2025-09-26 07:56:05,129 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0049 | Val rms_score: 0.6724
134
+ 2025-09-26 07:56:07,679 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0068 | Val rms_score: 0.6854
135
+ 2025-09-26 07:56:10,372 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0050 | Val rms_score: 0.6815
136
+ 2025-09-26 07:56:13,215 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0049 | Val rms_score: 0.6731
137
+ 2025-09-26 07:56:15,698 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0042 | Val rms_score: 0.6774
138
+ 2025-09-26 07:56:18,520 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0047 | Val rms_score: 0.6881
139
+ 2025-09-26 07:56:21,449 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0056 | Val rms_score: 0.6789
140
+ 2025-09-26 07:56:24,417 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0049 | Val rms_score: 0.6716
141
+ 2025-09-26 07:56:27,320 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0047 | Val rms_score: 0.6794
142
+ 2025-09-26 07:56:30,048 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0052 | Val rms_score: 0.6778
143
+ 2025-09-26 07:56:32,822 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0046 | Val rms_score: 0.6745
144
+ 2025-09-26 07:56:35,594 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0048 | Val rms_score: 0.6738
145
+ 2025-09-26 07:56:38,166 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0051 | Val rms_score: 0.6832
146
+ 2025-09-26 07:56:41,384 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0041 | Val rms_score: 0.6750
147
+ 2025-09-26 07:56:44,079 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0051 | Val rms_score: 0.6795
148
+ 2025-09-26 07:56:46,697 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0051 | Val rms_score: 0.6724
149
+ 2025-09-26 07:56:49,556 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0047 | Val rms_score: 0.6742
150
+ 2025-09-26 07:56:52,274 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0064 | Val rms_score: 0.6840
151
+ 2025-09-26 07:56:55,432 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0069 | Val rms_score: 0.6663
152
+ 2025-09-26 07:56:58,012 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0055 | Val rms_score: 0.6998
153
+ 2025-09-26 07:57:00,566 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0049 | Val rms_score: 0.6657
154
+ 2025-09-26 07:57:03,085 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0063 | Val rms_score: 0.6800
155
+ 2025-09-26 07:57:05,971 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0049 | Val rms_score: 0.6756
156
+ 2025-09-26 07:57:09,250 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0052 | Val rms_score: 0.6710
157
+ 2025-09-26 07:57:11,904 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0054 | Val rms_score: 0.6765
158
+ 2025-09-26 07:57:14,682 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0047 | Val rms_score: 0.6690
159
+ 2025-09-26 07:57:17,544 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0044 | Val rms_score: 0.6677
160
+ 2025-09-26 07:57:20,074 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0036 | Val rms_score: 0.6743
161
+ 2025-09-26 07:57:23,324 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0042 | Val rms_score: 0.6765
162
+ 2025-09-26 07:57:26,649 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0037 | Val rms_score: 0.6864
163
+ 2025-09-26 07:57:29,103 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0043 | Val rms_score: 0.6762
164
+ 2025-09-26 07:57:31,322 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0038 | Val rms_score: 0.6703
165
+ 2025-09-26 07:57:33,761 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0044 | Val rms_score: 0.6710
166
+ 2025-09-26 07:57:36,339 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0048 | Val rms_score: 0.6658
167
+ 2025-09-26 07:57:38,583 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0043 | Val rms_score: 0.6738
168
+ 2025-09-26 07:57:40,848 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0055 | Val rms_score: 0.6667
169
+ 2025-09-26 07:57:43,034 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0055 | Val rms_score: 0.6811
170
+ 2025-09-26 07:57:45,657 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0047 | Val rms_score: 0.6747
171
+ 2025-09-26 07:57:48,314 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0038 | Val rms_score: 0.6665
172
+ 2025-09-26 07:57:50,549 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0043 | Val rms_score: 0.6712
173
+ 2025-09-26 07:57:52,786 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0043 | Val rms_score: 0.6694
174
+ 2025-09-26 07:57:55,161 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0049 | Val rms_score: 0.6666
175
+ 2025-09-26 07:57:57,826 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0038 | Val rms_score: 0.6656
176
+ 2025-09-26 07:58:00,421 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0038 | Val rms_score: 0.6668
177
+ 2025-09-26 07:58:02,671 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0043 | Val rms_score: 0.6662
178
+ 2025-09-26 07:58:05,028 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0042 | Val rms_score: 0.6673
179
+ 2025-09-26 07:58:07,448 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0046 | Val rms_score: 0.6750
180
+ 2025-09-26 07:58:10,371 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0041 | Val rms_score: 0.6589
181
+ 2025-09-26 07:58:13,208 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0037 | Val rms_score: 0.6693
182
+ 2025-09-26 07:58:15,497 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0043 | Val rms_score: 0.6684
183
+ 2025-09-26 07:58:17,809 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0037 | Val rms_score: 0.6718
184
+ 2025-09-26 07:58:19,978 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0040 | Val rms_score: 0.6701
185
+ 2025-09-26 07:58:22,273 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0028 | Val rms_score: 0.6573
186
+ 2025-09-26 07:58:24,879 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0037 | Val rms_score: 0.6564
187
+ 2025-09-26 07:58:27,204 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0029 | Val rms_score: 0.6694
188
+ 2025-09-26 07:58:29,556 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0035 | Val rms_score: 0.6623
189
+ 2025-09-26 07:58:31,680 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0029 | Val rms_score: 0.6669
190
+ 2025-09-26 07:58:34,107 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0030 | Val rms_score: 0.6713
191
+ 2025-09-26 07:58:36,635 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0034 | Val rms_score: 0.6691
192
+ 2025-09-26 07:58:38,971 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0039 | Val rms_score: 0.6632
193
+ 2025-09-26 07:58:41,293 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0037 | Val rms_score: 0.6691
194
+ 2025-09-26 07:58:43,458 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0039 | Val rms_score: 0.6644
195
+ 2025-09-26 07:58:45,882 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0032 | Val rms_score: 0.6654
196
+ 2025-09-26 07:58:48,415 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0034 | Val rms_score: 0.6704
197
+ 2025-09-26 07:58:50,660 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0035 | Val rms_score: 0.6576
198
+ 2025-09-26 07:58:52,898 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0037 | Val rms_score: 0.6745
199
+ 2025-09-26 07:58:55,084 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0034 | Val rms_score: 0.6629
200
+ 2025-09-26 07:58:57,554 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0039 | Val rms_score: 0.6652
201
+ 2025-09-26 07:59:00,132 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0039 | Val rms_score: 0.6549
202
+ 2025-09-26 07:59:02,414 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0037 | Val rms_score: 0.6671
203
+ 2025-09-26 07:59:04,658 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0038 | Val rms_score: 0.6527
204
+ 2025-09-26 07:59:06,906 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0036 | Val rms_score: 0.6651
205
+ 2025-09-26 07:59:09,145 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0032 | Val rms_score: 0.6599
206
+ 2025-09-26 07:59:11,701 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0038 | Val rms_score: 0.6710
207
+ 2025-09-26 07:59:13,893 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0040 | Val rms_score: 0.6554
208
+ 2025-09-26 07:59:16,221 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0035 | Val rms_score: 0.6738
209
+ 2025-09-26 07:59:18,485 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0046 | Val rms_score: 0.6602
210
+ 2025-09-26 07:59:19,066 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Test rms_score: 0.9019
211
+ 2025-09-26 07:59:19,401 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset adme_ppb_h at 2025-09-26_07-59-19
212
+ 2025-09-26 07:59:21,230 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.8250 | Val rms_score: 0.4951
213
+ 2025-09-26 07:59:21,230 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Global step of best model: 5
214
+ 2025-09-26 07:59:21,848 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4951
215
+ 2025-09-26 07:59:24,101 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4062 | Val rms_score: 0.6299
216
+ 2025-09-26 07:59:26,277 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2656 | Val rms_score: 0.6407
217
+ 2025-09-26 07:59:28,579 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1852 | Val rms_score: 0.6906
218
+ 2025-09-26 07:59:30,839 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1313 | Val rms_score: 0.6626
219
+ 2025-09-26 07:59:33,528 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0910 | Val rms_score: 0.6317
220
+ 2025-09-26 07:59:36,146 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0695 | Val rms_score: 0.6445
221
+ 2025-09-26 07:59:38,435 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0574 | Val rms_score: 0.6537
222
+ 2025-09-26 07:59:40,961 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0422 | Val rms_score: 0.6753
223
+ 2025-09-26 07:59:43,487 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0322 | Val rms_score: 0.6681
224
+ 2025-09-26 07:59:46,421 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0238 | Val rms_score: 0.6641
225
+ 2025-09-26 07:59:49,063 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0223 | Val rms_score: 0.6808
226
+ 2025-09-26 07:59:51,436 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0182 | Val rms_score: 0.6896
227
+ 2025-09-26 07:59:53,952 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0160 | Val rms_score: 0.6726
228
+ 2025-09-26 07:59:56,655 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0152 | Val rms_score: 0.6825
229
+ 2025-09-26 07:59:59,611 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0134 | Val rms_score: 0.6955
230
+ 2025-09-26 08:00:02,464 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0104 | Val rms_score: 0.6870
231
+ 2025-09-26 08:00:04,994 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0107 | Val rms_score: 0.6832
232
+ 2025-09-26 08:00:07,288 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0103 | Val rms_score: 0.6883
233
+ 2025-09-26 08:00:09,605 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0086 | Val rms_score: 0.6879
234
+ 2025-09-26 08:00:12,317 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0082 | Val rms_score: 0.6850
235
+ 2025-09-26 08:00:14,974 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0083 | Val rms_score: 0.6776
236
+ 2025-09-26 08:00:17,417 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0069 | Val rms_score: 0.6841
237
+ 2025-09-26 08:00:19,892 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0085 | Val rms_score: 0.6846
238
+ 2025-09-26 08:00:22,188 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0069 | Val rms_score: 0.6770
239
+ 2025-09-26 08:00:24,964 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0063 | Val rms_score: 0.6832
240
+ 2025-09-26 08:00:27,730 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0060 | Val rms_score: 0.6843
241
+ 2025-09-26 08:00:29,999 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0052 | Val rms_score: 0.6833
242
+ 2025-09-26 08:00:32,466 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0049 | Val rms_score: 0.6810
243
+ 2025-09-26 08:00:34,953 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0059 | Val rms_score: 0.6863
244
+ 2025-09-26 08:00:37,716 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0047 | Val rms_score: 0.6877
245
+ 2025-09-26 08:00:40,467 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0053 | Val rms_score: 0.6828
246
+ 2025-09-26 08:00:43,128 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0052 | Val rms_score: 0.6812
247
+ 2025-09-26 08:00:45,744 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0058 | Val rms_score: 0.6820
248
+ 2025-09-26 08:00:48,530 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0051 | Val rms_score: 0.6865
249
+ 2025-09-26 08:00:51,223 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0051 | Val rms_score: 0.6855
250
+ 2025-09-26 08:00:54,101 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0048 | Val rms_score: 0.6849
251
+ 2025-09-26 08:00:56,769 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0036 | Val rms_score: 0.6820
252
+ 2025-09-26 08:00:59,094 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0045 | Val rms_score: 0.6797
253
+ 2025-09-26 08:01:01,458 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0050 | Val rms_score: 0.6852
254
+ 2025-09-26 08:01:04,202 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0036 | Val rms_score: 0.6819
255
+ 2025-09-26 08:01:06,860 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0049 | Val rms_score: 0.6810
256
+ 2025-09-26 08:01:09,572 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0043 | Val rms_score: 0.6850
257
+ 2025-09-26 08:01:11,810 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0041 | Val rms_score: 0.6875
258
+ 2025-09-26 08:01:14,283 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0040 | Val rms_score: 0.6858
259
+ 2025-09-26 08:01:17,174 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0054 | Val rms_score: 0.6910
260
+ 2025-09-26 08:01:19,948 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0046 | Val rms_score: 0.6892
261
+ 2025-09-26 08:01:22,618 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0042 | Val rms_score: 0.6870
262
+ 2025-09-26 08:01:25,107 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0045 | Val rms_score: 0.6984
263
+ 2025-09-26 08:01:27,550 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0045 | Val rms_score: 0.6889
264
+ 2025-09-26 08:01:30,388 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0050 | Val rms_score: 0.6823
265
+ 2025-09-26 08:01:33,534 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0037 | Val rms_score: 0.6843
266
+ 2025-09-26 08:01:36,120 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0041 | Val rms_score: 0.6782
267
+ 2025-09-26 08:01:38,621 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0042 | Val rms_score: 0.6806
268
+ 2025-09-26 08:01:40,767 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0049 | Val rms_score: 0.6815
269
+ 2025-09-26 08:01:43,384 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0041 | Val rms_score: 0.6839
270
+ 2025-09-26 08:01:45,995 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0037 | Val rms_score: 0.6849
271
+ 2025-09-26 08:01:48,297 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0037 | Val rms_score: 0.6803
272
+ 2025-09-26 08:01:50,716 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0044 | Val rms_score: 0.6787
273
+ 2025-09-26 08:01:53,272 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0049 | Val rms_score: 0.6816
274
+ 2025-09-26 08:01:56,089 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0038 | Val rms_score: 0.6757
275
+ 2025-09-26 08:01:58,836 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0034 | Val rms_score: 0.6792
276
+ 2025-09-26 08:02:01,212 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0051 | Val rms_score: 0.6834
277
+ 2025-09-26 08:02:03,527 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0041 | Val rms_score: 0.6825
278
+ 2025-09-26 08:02:05,814 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0045 | Val rms_score: 0.6848
279
+ 2025-09-26 08:02:08,643 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0045 | Val rms_score: 0.6824
280
+ 2025-09-26 08:02:11,417 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0045 | Val rms_score: 0.6686
281
+ 2025-09-26 08:02:13,999 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0048 | Val rms_score: 0.6706
282
+ 2025-09-26 08:02:16,253 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0032 | Val rms_score: 0.6816
283
+ 2025-09-26 08:02:18,537 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0048 | Val rms_score: 0.6790
284
+ 2025-09-26 08:02:20,987 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0037 | Val rms_score: 0.6778
285
+ 2025-09-26 08:02:23,571 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0043 | Val rms_score: 0.6777
286
+ 2025-09-26 08:02:25,835 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0040 | Val rms_score: 0.6760
287
+ 2025-09-26 08:02:28,096 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0042 | Val rms_score: 0.6774
288
+ 2025-09-26 08:02:30,351 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0034 | Val rms_score: 0.6787
289
+ 2025-09-26 08:02:32,639 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0042 | Val rms_score: 0.6763
290
+ 2025-09-26 08:02:35,360 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0041 | Val rms_score: 0.6749
291
+ 2025-09-26 08:02:37,673 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0041 | Val rms_score: 0.6773
292
+ 2025-09-26 08:02:39,934 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0037 | Val rms_score: 0.6792
293
+ 2025-09-26 08:02:42,214 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0035 | Val rms_score: 0.6772
294
+ 2025-09-26 08:02:44,483 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0037 | Val rms_score: 0.6714
295
+ 2025-09-26 08:02:47,125 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0036 | Val rms_score: 0.6719
296
+ 2025-09-26 08:02:49,409 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0035 | Val rms_score: 0.6711
297
+ 2025-09-26 08:02:51,633 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0033 | Val rms_score: 0.6746
298
+ 2025-09-26 08:02:53,856 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0030 | Val rms_score: 0.6763
299
+ 2025-09-26 08:02:56,026 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0034 | Val rms_score: 0.6681
300
+ 2025-09-26 08:02:58,516 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0041 | Val rms_score: 0.6713
301
+ 2025-09-26 08:03:00,751 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0034 | Val rms_score: 0.6762
302
+ 2025-09-26 08:03:02,914 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0037 | Val rms_score: 0.6707
303
+ 2025-09-26 08:03:05,126 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0039 | Val rms_score: 0.6751
304
+ 2025-09-26 08:03:07,401 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0040 | Val rms_score: 0.6781
305
+ 2025-09-26 08:03:09,975 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0039 | Val rms_score: 0.6676
306
+ 2025-09-26 08:03:12,218 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0032 | Val rms_score: 0.6653
307
+ 2025-09-26 08:03:14,495 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0037 | Val rms_score: 0.6732
308
+ 2025-09-26 08:03:16,805 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0039 | Val rms_score: 0.6680
309
+ 2025-09-26 08:03:19,071 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0029 | Val rms_score: 0.6653
310
+ 2025-09-26 08:03:21,693 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0031 | Val rms_score: 0.6676
311
+ 2025-09-26 08:03:23,857 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0033 | Val rms_score: 0.6734
312
+ 2025-09-26 08:03:26,048 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0034 | Val rms_score: 0.6703
313
+ 2025-09-26 08:03:28,267 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0038 | Val rms_score: 0.6742
314
+ 2025-09-26 08:03:28,795 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Test rms_score: 0.8698
315
+ 2025-09-26 08:03:29,104 - logs_modchembert_adme_ppb_h_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.8927, Std Dev: 0.0163
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_ppb_r_epochs100_batch_size32_20250926_080329.log ADDED
@@ -0,0 +1,329 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 08:03:29,106 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Running benchmark for dataset: adme_ppb_r
2
+ 2025-09-26 08:03:29,106 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - dataset: adme_ppb_r, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 08:03:29,143 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset adme_ppb_r at 2025-09-26_08-03-29
4
+ 2025-09-26 08:03:30,979 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.8938 | Val rms_score: 0.5334
5
+ 2025-09-26 08:03:30,980 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 5
6
+ 2025-09-26 08:03:31,573 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.5334
7
+ 2025-09-26 08:03:34,148 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4031 | Val rms_score: 0.3670
8
+ 2025-09-26 08:03:34,339 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 10
9
+ 2025-09-26 08:03:34,918 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3670
10
+ 2025-09-26 08:03:37,296 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2266 | Val rms_score: 0.4133
11
+ 2025-09-26 08:03:39,875 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2109 | Val rms_score: 0.3446
12
+ 2025-09-26 08:03:40,062 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 20
13
+ 2025-09-26 08:03:40,849 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.3446
14
+ 2025-09-26 08:03:43,438 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1414 | Val rms_score: 0.3603
15
+ 2025-09-26 08:03:45,590 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1000 | Val rms_score: 0.3732
16
+ 2025-09-26 08:03:48,138 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0871 | Val rms_score: 0.4052
17
+ 2025-09-26 08:03:50,376 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0566 | Val rms_score: 0.4752
18
+ 2025-09-26 08:03:52,461 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0471 | Val rms_score: 0.4318
19
+ 2025-09-26 08:03:55,225 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0480 | Val rms_score: 0.4543
20
+ 2025-09-26 08:03:57,318 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0436 | Val rms_score: 0.4484
21
+ 2025-09-26 08:03:59,817 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0359 | Val rms_score: 0.4022
22
+ 2025-09-26 08:04:01,949 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0279 | Val rms_score: 0.4533
23
+ 2025-09-26 08:04:04,101 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0222 | Val rms_score: 0.4545
24
+ 2025-09-26 08:04:06,330 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0208 | Val rms_score: 0.4452
25
+ 2025-09-26 08:04:08,509 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0180 | Val rms_score: 0.4705
26
+ 2025-09-26 08:04:11,038 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0152 | Val rms_score: 0.4534
27
+ 2025-09-26 08:04:13,345 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0138 | Val rms_score: 0.4527
28
+ 2025-09-26 08:04:15,554 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0122 | Val rms_score: 0.4666
29
+ 2025-09-26 08:04:17,743 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0094 | Val rms_score: 0.4478
30
+ 2025-09-26 08:04:19,892 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0207 | Val rms_score: 0.4507
31
+ 2025-09-26 08:04:22,359 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0068 | Val rms_score: 0.4592
32
+ 2025-09-26 08:04:24,634 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0076 | Val rms_score: 0.4599
33
+ 2025-09-26 08:04:26,858 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0066 | Val rms_score: 0.4651
34
+ 2025-09-26 08:04:29,099 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0070 | Val rms_score: 0.4641
35
+ 2025-09-26 08:04:31,267 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0085 | Val rms_score: 0.4541
36
+ 2025-09-26 08:04:33,713 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0084 | Val rms_score: 0.4570
37
+ 2025-09-26 08:04:35,957 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0065 | Val rms_score: 0.4703
38
+ 2025-09-26 08:04:38,200 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0064 | Val rms_score: 0.4544
39
+ 2025-09-26 08:04:40,468 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0066 | Val rms_score: 0.4527
40
+ 2025-09-26 08:04:42,624 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0122 | Val rms_score: 0.4756
41
+ 2025-09-26 08:04:45,244 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0086 | Val rms_score: 0.4587
42
+ 2025-09-26 08:04:47,581 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0092 | Val rms_score: 0.4591
43
+ 2025-09-26 08:04:49,987 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0070 | Val rms_score: 0.4768
44
+ 2025-09-26 08:04:52,459 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0102 | Val rms_score: 0.4661
45
+ 2025-09-26 08:04:55,102 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0074 | Val rms_score: 0.4704
46
+ 2025-09-26 08:04:58,018 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0083 | Val rms_score: 0.4696
47
+ 2025-09-26 08:05:00,648 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0052 | Val rms_score: 0.4598
48
+ 2025-09-26 08:05:03,337 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0065 | Val rms_score: 0.4668
49
+ 2025-09-26 08:05:06,052 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0068 | Val rms_score: 0.4556
50
+ 2025-09-26 08:05:08,763 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0070 | Val rms_score: 0.4573
51
+ 2025-09-26 08:05:11,821 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0057 | Val rms_score: 0.4903
52
+ 2025-09-26 08:05:14,588 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0054 | Val rms_score: 0.4618
53
+ 2025-09-26 08:05:17,028 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0062 | Val rms_score: 0.4543
54
+ 2025-09-26 08:05:19,429 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0052 | Val rms_score: 0.4689
55
+ 2025-09-26 08:05:21,763 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0049 | Val rms_score: 0.4575
56
+ 2025-09-26 08:05:24,402 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0054 | Val rms_score: 0.4624
57
+ 2025-09-26 08:05:26,677 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0050 | Val rms_score: 0.4688
58
+ 2025-09-26 08:05:29,135 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0054 | Val rms_score: 0.4737
59
+ 2025-09-26 08:05:31,441 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0041 | Val rms_score: 0.4682
60
+ 2025-09-26 08:05:33,626 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0050 | Val rms_score: 0.4583
61
+ 2025-09-26 08:05:36,295 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0039 | Val rms_score: 0.4647
62
+ 2025-09-26 08:05:38,624 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0042 | Val rms_score: 0.4635
63
+ 2025-09-26 08:05:40,887 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0043 | Val rms_score: 0.4627
64
+ 2025-09-26 08:05:43,156 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0051 | Val rms_score: 0.4594
65
+ 2025-09-26 08:05:45,369 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0043 | Val rms_score: 0.4626
66
+ 2025-09-26 08:05:48,509 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0047 | Val rms_score: 0.4619
67
+ 2025-09-26 08:05:50,762 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0045 | Val rms_score: 0.4678
68
+ 2025-09-26 08:05:52,927 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0043 | Val rms_score: 0.4727
69
+ 2025-09-26 08:05:55,321 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0043 | Val rms_score: 0.4657
70
+ 2025-09-26 08:05:57,584 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0046 | Val rms_score: 0.4612
71
+ 2025-09-26 08:06:00,160 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0049 | Val rms_score: 0.4644
72
+ 2025-09-26 08:06:02,373 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0036 | Val rms_score: 0.4604
73
+ 2025-09-26 08:06:04,617 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0049 | Val rms_score: 0.4610
74
+ 2025-09-26 08:06:06,876 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0039 | Val rms_score: 0.4719
75
+ 2025-09-26 08:06:09,132 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0051 | Val rms_score: 0.4568
76
+ 2025-09-26 08:06:11,712 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0052 | Val rms_score: 0.4607
77
+ 2025-09-26 08:06:13,990 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0054 | Val rms_score: 0.4600
78
+ 2025-09-26 08:06:16,178 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0046 | Val rms_score: 0.4496
79
+ 2025-09-26 08:06:18,529 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0050 | Val rms_score: 0.4562
80
+ 2025-09-26 08:06:20,800 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0035 | Val rms_score: 0.4638
81
+ 2025-09-26 08:06:23,478 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0041 | Val rms_score: 0.4612
82
+ 2025-09-26 08:06:25,678 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0052 | Val rms_score: 0.4712
83
+ 2025-09-26 08:06:27,931 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0035 | Val rms_score: 0.4775
84
+ 2025-09-26 08:06:30,506 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0045 | Val rms_score: 0.4618
85
+ 2025-09-26 08:06:32,696 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0040 | Val rms_score: 0.4597
86
+ 2025-09-26 08:06:35,643 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0047 | Val rms_score: 0.4575
87
+ 2025-09-26 08:06:38,462 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0040 | Val rms_score: 0.4488
88
+ 2025-09-26 08:06:41,255 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0046 | Val rms_score: 0.4746
89
+ 2025-09-26 08:06:44,027 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0047 | Val rms_score: 0.4584
90
+ 2025-09-26 08:06:46,674 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0040 | Val rms_score: 0.4597
91
+ 2025-09-26 08:06:49,867 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0050 | Val rms_score: 0.4663
92
+ 2025-09-26 08:06:52,751 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0040 | Val rms_score: 0.4581
93
+ 2025-09-26 08:06:55,817 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0041 | Val rms_score: 0.4644
94
+ 2025-09-26 08:06:58,446 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0033 | Val rms_score: 0.4528
95
+ 2025-09-26 08:07:01,385 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0044 | Val rms_score: 0.4574
96
+ 2025-09-26 08:07:04,170 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0047 | Val rms_score: 0.4668
97
+ 2025-09-26 08:07:06,589 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0047 | Val rms_score: 0.4613
98
+ 2025-09-26 08:07:09,087 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0036 | Val rms_score: 0.4593
99
+ 2025-09-26 08:07:11,537 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0042 | Val rms_score: 0.4680
100
+ 2025-09-26 08:07:14,147 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0042 | Val rms_score: 0.4617
101
+ 2025-09-26 08:07:17,150 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0040 | Val rms_score: 0.4572
102
+ 2025-09-26 08:07:19,539 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0034 | Val rms_score: 0.4586
103
+ 2025-09-26 08:07:22,203 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0040 | Val rms_score: 0.4594
104
+ 2025-09-26 08:07:24,461 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0045 | Val rms_score: 0.4580
105
+ 2025-09-26 08:07:26,986 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0032 | Val rms_score: 0.4638
106
+ 2025-09-26 08:07:29,676 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0048 | Val rms_score: 0.4500
107
+ 2025-09-26 08:07:31,947 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0041 | Val rms_score: 0.4561
108
+ 2025-09-26 08:07:34,189 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0058 | Val rms_score: 0.4651
109
+ 2025-09-26 08:07:36,391 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0052 | Val rms_score: 0.4451
110
+ 2025-09-26 08:07:36,927 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Test rms_score: 0.6464
111
+ 2025-09-26 08:07:37,255 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset adme_ppb_r at 2025-09-26_08-07-37
112
+ 2025-09-26 08:07:39,125 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.9125 | Val rms_score: 0.5661
113
+ 2025-09-26 08:07:39,125 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 5
114
+ 2025-09-26 08:07:39,733 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.5661
115
+ 2025-09-26 08:07:42,286 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.5437 | Val rms_score: 0.4625
116
+ 2025-09-26 08:07:42,472 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 10
117
+ 2025-09-26 08:07:43,056 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.4625
118
+ 2025-09-26 08:07:45,582 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3109 | Val rms_score: 0.3648
119
+ 2025-09-26 08:07:45,771 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 15
120
+ 2025-09-26 08:07:46,373 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.3648
121
+ 2025-09-26 08:07:48,832 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2656 | Val rms_score: 0.3246
122
+ 2025-09-26 08:07:49,053 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 20
123
+ 2025-09-26 08:07:49,632 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.3246
124
+ 2025-09-26 08:07:51,774 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2234 | Val rms_score: 0.3580
125
+ 2025-09-26 08:07:54,808 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1461 | Val rms_score: 0.3302
126
+ 2025-09-26 08:07:57,711 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1141 | Val rms_score: 0.3296
127
+ 2025-09-26 08:07:59,840 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0930 | Val rms_score: 0.3476
128
+ 2025-09-26 08:08:02,142 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0793 | Val rms_score: 0.3682
129
+ 2025-09-26 08:08:04,358 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0820 | Val rms_score: 0.3625
130
+ 2025-09-26 08:08:06,457 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0531 | Val rms_score: 0.4083
131
+ 2025-09-26 08:08:09,427 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0508 | Val rms_score: 0.4318
132
+ 2025-09-26 08:08:11,657 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0383 | Val rms_score: 0.4383
133
+ 2025-09-26 08:08:13,824 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0289 | Val rms_score: 0.4472
134
+ 2025-09-26 08:08:16,012 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0273 | Val rms_score: 0.4413
135
+ 2025-09-26 08:08:18,251 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0227 | Val rms_score: 0.4377
136
+ 2025-09-26 08:08:20,770 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0205 | Val rms_score: 0.4353
137
+ 2025-09-26 08:08:22,931 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0187 | Val rms_score: 0.4417
138
+ 2025-09-26 08:08:25,197 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0168 | Val rms_score: 0.4440
139
+ 2025-09-26 08:08:27,409 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0137 | Val rms_score: 0.4522
140
+ 2025-09-26 08:08:29,649 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0145 | Val rms_score: 0.4595
141
+ 2025-09-26 08:08:32,189 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0112 | Val rms_score: 0.4535
142
+ 2025-09-26 08:08:34,427 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0100 | Val rms_score: 0.4442
143
+ 2025-09-26 08:08:36,712 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0097 | Val rms_score: 0.4405
144
+ 2025-09-26 08:08:38,953 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0098 | Val rms_score: 0.4410
145
+ 2025-09-26 08:08:41,184 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0114 | Val rms_score: 0.4354
146
+ 2025-09-26 08:08:43,774 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0090 | Val rms_score: 0.4368
147
+ 2025-09-26 08:08:45,945 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0126 | Val rms_score: 0.4516
148
+ 2025-09-26 08:08:48,133 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0081 | Val rms_score: 0.4594
149
+ 2025-09-26 08:08:50,361 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0061 | Val rms_score: 0.4391
150
+ 2025-09-26 08:08:52,719 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0076 | Val rms_score: 0.4433
151
+ 2025-09-26 08:08:55,417 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0061 | Val rms_score: 0.4648
152
+ 2025-09-26 08:08:57,679 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0072 | Val rms_score: 0.4595
153
+ 2025-09-26 08:08:59,963 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0049 | Val rms_score: 0.4458
154
+ 2025-09-26 08:09:02,113 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0052 | Val rms_score: 0.4495
155
+ 2025-09-26 08:09:04,273 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0048 | Val rms_score: 0.4571
156
+ 2025-09-26 08:09:06,755 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0070 | Val rms_score: 0.4545
157
+ 2025-09-26 08:09:09,047 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0066 | Val rms_score: 0.4437
158
+ 2025-09-26 08:09:11,242 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0062 | Val rms_score: 0.4559
159
+ 2025-09-26 08:09:13,553 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0063 | Val rms_score: 0.4545
160
+ 2025-09-26 08:09:15,758 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0062 | Val rms_score: 0.4377
161
+ 2025-09-26 08:09:18,432 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0063 | Val rms_score: 0.4365
162
+ 2025-09-26 08:09:20,700 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0049 | Val rms_score: 0.4509
163
+ 2025-09-26 08:09:22,878 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0049 | Val rms_score: 0.4518
164
+ 2025-09-26 08:09:25,067 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0051 | Val rms_score: 0.4484
165
+ 2025-09-26 08:09:27,360 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0065 | Val rms_score: 0.4527
166
+ 2025-09-26 08:09:29,893 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0048 | Val rms_score: 0.4546
167
+ 2025-09-26 08:09:32,064 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0042 | Val rms_score: 0.4533
168
+ 2025-09-26 08:09:34,212 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0046 | Val rms_score: 0.4396
169
+ 2025-09-26 08:09:36,539 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0051 | Val rms_score: 0.4440
170
+ 2025-09-26 08:09:38,772 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0050 | Val rms_score: 0.4487
171
+ 2025-09-26 08:09:41,207 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0043 | Val rms_score: 0.4390
172
+ 2025-09-26 08:09:43,411 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0047 | Val rms_score: 0.4418
173
+ 2025-09-26 08:09:45,526 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0056 | Val rms_score: 0.4536
174
+ 2025-09-26 08:09:47,770 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0055 | Val rms_score: 0.4514
175
+ 2025-09-26 08:09:49,918 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0043 | Val rms_score: 0.4483
176
+ 2025-09-26 08:09:52,471 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0040 | Val rms_score: 0.4460
177
+ 2025-09-26 08:09:54,801 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0044 | Val rms_score: 0.4504
178
+ 2025-09-26 08:09:57,108 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0052 | Val rms_score: 0.4450
179
+ 2025-09-26 08:09:59,257 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0038 | Val rms_score: 0.4470
180
+ 2025-09-26 08:10:01,625 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0049 | Val rms_score: 0.4454
181
+ 2025-09-26 08:10:04,169 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0045 | Val rms_score: 0.4508
182
+ 2025-09-26 08:10:06,476 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0040 | Val rms_score: 0.4517
183
+ 2025-09-26 08:10:08,808 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0045 | Val rms_score: 0.4452
184
+ 2025-09-26 08:10:11,225 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0043 | Val rms_score: 0.4453
185
+ 2025-09-26 08:10:13,430 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0040 | Val rms_score: 0.4525
186
+ 2025-09-26 08:10:16,236 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0040 | Val rms_score: 0.4617
187
+ 2025-09-26 08:10:18,796 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0047 | Val rms_score: 0.4522
188
+ 2025-09-26 08:10:21,315 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0049 | Val rms_score: 0.4424
189
+ 2025-09-26 08:10:23,680 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0052 | Val rms_score: 0.4422
190
+ 2025-09-26 08:10:25,899 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0044 | Val rms_score: 0.4387
191
+ 2025-09-26 08:10:28,899 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0045 | Val rms_score: 0.4350
192
+ 2025-09-26 08:10:31,591 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0050 | Val rms_score: 0.4463
193
+ 2025-09-26 08:10:34,352 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0050 | Val rms_score: 0.4501
194
+ 2025-09-26 08:10:36,793 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0049 | Val rms_score: 0.4374
195
+ 2025-09-26 08:10:39,210 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0038 | Val rms_score: 0.4360
196
+ 2025-09-26 08:10:42,258 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0049 | Val rms_score: 0.4363
197
+ 2025-09-26 08:10:45,207 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0037 | Val rms_score: 0.4461
198
+ 2025-09-26 08:10:48,055 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0041 | Val rms_score: 0.4491
199
+ 2025-09-26 08:10:50,961 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0043 | Val rms_score: 0.4426
200
+ 2025-09-26 08:10:53,474 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0042 | Val rms_score: 0.4382
201
+ 2025-09-26 08:10:56,638 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0042 | Val rms_score: 0.4361
202
+ 2025-09-26 08:10:59,539 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0040 | Val rms_score: 0.4409
203
+ 2025-09-26 08:11:02,455 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0046 | Val rms_score: 0.4558
204
+ 2025-09-26 08:11:05,651 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0048 | Val rms_score: 0.4433
205
+ 2025-09-26 08:11:08,357 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0046 | Val rms_score: 0.4352
206
+ 2025-09-26 08:11:11,015 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0039 | Val rms_score: 0.4487
207
+ 2025-09-26 08:11:13,338 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0041 | Val rms_score: 0.4533
208
+ 2025-09-26 08:11:15,692 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0042 | Val rms_score: 0.4422
209
+ 2025-09-26 08:11:18,013 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0058 | Val rms_score: 0.4323
210
+ 2025-09-26 08:11:20,729 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0045 | Val rms_score: 0.4473
211
+ 2025-09-26 08:11:23,650 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0045 | Val rms_score: 0.4457
212
+ 2025-09-26 08:11:26,060 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0051 | Val rms_score: 0.4483
213
+ 2025-09-26 08:11:28,774 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0038 | Val rms_score: 0.4427
214
+ 2025-09-26 08:11:31,494 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0043 | Val rms_score: 0.4414
215
+ 2025-09-26 08:11:34,333 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0039 | Val rms_score: 0.4468
216
+ 2025-09-26 08:11:37,292 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0035 | Val rms_score: 0.4433
217
+ 2025-09-26 08:11:40,059 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0035 | Val rms_score: 0.4410
218
+ 2025-09-26 08:11:42,668 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0041 | Val rms_score: 0.4425
219
+ 2025-09-26 08:11:45,380 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0044 | Val rms_score: 0.4578
220
+ 2025-09-26 08:11:45,938 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Test rms_score: 0.7436
221
+ 2025-09-26 08:11:46,238 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset adme_ppb_r at 2025-09-26_08-11-46
222
+ 2025-09-26 08:11:48,068 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.8688 | Val rms_score: 0.5339
223
+ 2025-09-26 08:11:48,068 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 5
224
+ 2025-09-26 08:11:48,628 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.5339
225
+ 2025-09-26 08:11:50,964 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4500 | Val rms_score: 0.3867
226
+ 2025-09-26 08:11:51,152 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 10
227
+ 2025-09-26 08:11:51,724 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3867
228
+ 2025-09-26 08:11:54,295 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2938 | Val rms_score: 0.4180
229
+ 2025-09-26 08:11:56,601 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3000 | Val rms_score: 0.3342
230
+ 2025-09-26 08:11:56,785 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Global step of best model: 20
231
+ 2025-09-26 08:11:57,327 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.3342
232
+ 2025-09-26 08:11:59,750 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1609 | Val rms_score: 0.3387
233
+ 2025-09-26 08:12:01,877 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1703 | Val rms_score: 0.3443
234
+ 2025-09-26 08:12:04,397 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0992 | Val rms_score: 0.3486
235
+ 2025-09-26 08:12:06,658 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0922 | Val rms_score: 0.3677
236
+ 2025-09-26 08:12:09,176 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0594 | Val rms_score: 0.4005
237
+ 2025-09-26 08:12:11,601 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0516 | Val rms_score: 0.3992
238
+ 2025-09-26 08:12:13,803 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0424 | Val rms_score: 0.4035
239
+ 2025-09-26 08:12:16,612 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0352 | Val rms_score: 0.4121
240
+ 2025-09-26 08:12:19,112 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0340 | Val rms_score: 0.4115
241
+ 2025-09-26 08:12:21,473 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0301 | Val rms_score: 0.4197
242
+ 2025-09-26 08:12:23,777 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0245 | Val rms_score: 0.4420
243
+ 2025-09-26 08:12:25,919 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0194 | Val rms_score: 0.4504
244
+ 2025-09-26 08:12:28,567 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0210 | Val rms_score: 0.4381
245
+ 2025-09-26 08:12:30,815 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0159 | Val rms_score: 0.4437
246
+ 2025-09-26 08:12:32,932 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0150 | Val rms_score: 0.4466
247
+ 2025-09-26 08:12:35,928 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0130 | Val rms_score: 0.4490
248
+ 2025-09-26 08:12:38,742 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0139 | Val rms_score: 0.4385
249
+ 2025-09-26 08:12:41,738 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0131 | Val rms_score: 0.4484
250
+ 2025-09-26 08:12:44,525 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0107 | Val rms_score: 0.4501
251
+ 2025-09-26 08:12:47,260 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0097 | Val rms_score: 0.4466
252
+ 2025-09-26 08:12:50,187 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0076 | Val rms_score: 0.4490
253
+ 2025-09-26 08:12:52,927 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0091 | Val rms_score: 0.4562
254
+ 2025-09-26 08:12:55,533 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0080 | Val rms_score: 0.4586
255
+ 2025-09-26 08:12:58,027 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0081 | Val rms_score: 0.4542
256
+ 2025-09-26 08:13:00,417 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0080 | Val rms_score: 0.4592
257
+ 2025-09-26 08:13:02,915 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0075 | Val rms_score: 0.4718
258
+ 2025-09-26 08:13:05,646 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0082 | Val rms_score: 0.4591
259
+ 2025-09-26 08:13:08,676 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0055 | Val rms_score: 0.4479
260
+ 2025-09-26 08:13:11,456 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0080 | Val rms_score: 0.4537
261
+ 2025-09-26 08:13:14,231 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0074 | Val rms_score: 0.4580
262
+ 2025-09-26 08:13:16,799 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0061 | Val rms_score: 0.4727
263
+ 2025-09-26 08:13:19,506 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0058 | Val rms_score: 0.4694
264
+ 2025-09-26 08:13:22,593 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0062 | Val rms_score: 0.4564
265
+ 2025-09-26 08:13:25,432 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0052 | Val rms_score: 0.4667
266
+ 2025-09-26 08:13:28,421 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0056 | Val rms_score: 0.4720
267
+ 2025-09-26 08:13:31,150 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0068 | Val rms_score: 0.4579
268
+ 2025-09-26 08:13:34,086 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0077 | Val rms_score: 0.4618
269
+ 2025-09-26 08:13:37,015 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0051 | Val rms_score: 0.4614
270
+ 2025-09-26 08:13:39,661 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0062 | Val rms_score: 0.4693
271
+ 2025-09-26 08:13:42,282 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0079 | Val rms_score: 0.4579
272
+ 2025-09-26 08:13:45,046 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0063 | Val rms_score: 0.4461
273
+ 2025-09-26 08:13:47,897 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0057 | Val rms_score: 0.4673
274
+ 2025-09-26 08:13:50,749 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0066 | Val rms_score: 0.4457
275
+ 2025-09-26 08:13:53,246 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0069 | Val rms_score: 0.4663
276
+ 2025-09-26 08:13:55,612 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0079 | Val rms_score: 0.4581
277
+ 2025-09-26 08:13:58,031 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0052 | Val rms_score: 0.4430
278
+ 2025-09-26 08:14:00,565 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0060 | Val rms_score: 0.4617
279
+ 2025-09-26 08:14:03,479 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0055 | Val rms_score: 0.4516
280
+ 2025-09-26 08:14:06,088 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0058 | Val rms_score: 0.4545
281
+ 2025-09-26 08:14:08,989 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0053 | Val rms_score: 0.4607
282
+ 2025-09-26 08:14:11,536 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0050 | Val rms_score: 0.4630
283
+ 2025-09-26 08:14:14,302 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0052 | Val rms_score: 0.4548
284
+ 2025-09-26 08:14:17,366 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0046 | Val rms_score: 0.4618
285
+ 2025-09-26 08:14:20,133 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0048 | Val rms_score: 0.4722
286
+ 2025-09-26 08:14:22,901 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0047 | Val rms_score: 0.4673
287
+ 2025-09-26 08:14:25,676 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0057 | Val rms_score: 0.4556
288
+ 2025-09-26 08:14:28,415 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0051 | Val rms_score: 0.4716
289
+ 2025-09-26 08:14:31,367 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0053 | Val rms_score: 0.4680
290
+ 2025-09-26 08:14:34,049 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0059 | Val rms_score: 0.4615
291
+ 2025-09-26 08:14:36,934 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0043 | Val rms_score: 0.4595
292
+ 2025-09-26 08:14:40,020 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0040 | Val rms_score: 0.4503
293
+ 2025-09-26 08:14:42,917 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0055 | Val rms_score: 0.4743
294
+ 2025-09-26 08:14:45,912 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0053 | Val rms_score: 0.4553
295
+ 2025-09-26 08:14:48,379 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0054 | Val rms_score: 0.4543
296
+ 2025-09-26 08:14:50,977 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0054 | Val rms_score: 0.4762
297
+ 2025-09-26 08:14:53,401 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0044 | Val rms_score: 0.4482
298
+ 2025-09-26 08:14:55,893 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0052 | Val rms_score: 0.4546
299
+ 2025-09-26 08:14:58,788 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0034 | Val rms_score: 0.4678
300
+ 2025-09-26 08:15:01,077 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0050 | Val rms_score: 0.4613
301
+ 2025-09-26 08:15:03,470 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0042 | Val rms_score: 0.4564
302
+ 2025-09-26 08:15:05,893 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0044 | Val rms_score: 0.4660
303
+ 2025-09-26 08:15:08,172 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0047 | Val rms_score: 0.4680
304
+ 2025-09-26 08:15:10,990 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0031 | Val rms_score: 0.4565
305
+ 2025-09-26 08:15:13,545 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0032 | Val rms_score: 0.4624
306
+ 2025-09-26 08:15:16,014 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0043 | Val rms_score: 0.4681
307
+ 2025-09-26 08:15:18,610 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0046 | Val rms_score: 0.4568
308
+ 2025-09-26 08:15:21,124 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0032 | Val rms_score: 0.4464
309
+ 2025-09-26 08:15:23,845 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0037 | Val rms_score: 0.4601
310
+ 2025-09-26 08:15:26,191 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0045 | Val rms_score: 0.4610
311
+ 2025-09-26 08:15:28,727 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0052 | Val rms_score: 0.4595
312
+ 2025-09-26 08:15:31,019 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0038 | Val rms_score: 0.4658
313
+ 2025-09-26 08:15:33,436 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0039 | Val rms_score: 0.4604
314
+ 2025-09-26 08:15:36,347 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0031 | Val rms_score: 0.4578
315
+ 2025-09-26 08:15:38,896 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0042 | Val rms_score: 0.4578
316
+ 2025-09-26 08:15:41,420 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0037 | Val rms_score: 0.4603
317
+ 2025-09-26 08:15:43,973 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0038 | Val rms_score: 0.4649
318
+ 2025-09-26 08:15:46,361 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0041 | Val rms_score: 0.4585
319
+ 2025-09-26 08:15:49,104 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0038 | Val rms_score: 0.4585
320
+ 2025-09-26 08:15:51,677 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0045 | Val rms_score: 0.4565
321
+ 2025-09-26 08:15:54,133 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0048 | Val rms_score: 0.4526
322
+ 2025-09-26 08:15:56,692 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0042 | Val rms_score: 0.4582
323
+ 2025-09-26 08:15:59,445 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0042 | Val rms_score: 0.4445
324
+ 2025-09-26 08:16:02,940 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0043 | Val rms_score: 0.4568
325
+ 2025-09-26 08:16:05,517 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0056 | Val rms_score: 0.4464
326
+ 2025-09-26 08:16:08,099 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0046 | Val rms_score: 0.4456
327
+ 2025-09-26 08:16:10,624 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0057 | Val rms_score: 0.4581
328
+ 2025-09-26 08:16:11,212 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Test rms_score: 0.6926
329
+ 2025-09-26 08:16:11,503 - logs_modchembert_adme_ppb_r_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.6942, Std Dev: 0.0397
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_adme_solubility_epochs100_batch_size32_20250926_081611.log ADDED
@@ -0,0 +1,343 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 08:16:11,504 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Running benchmark for dataset: adme_solubility
2
+ 2025-09-26 08:16:11,504 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - dataset: adme_solubility, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 08:16:11,513 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset adme_solubility at 2025-09-26_08-16-11
4
+ 2025-09-26 08:16:19,297 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6364 | Val rms_score: 0.3772
5
+ 2025-09-26 08:16:19,297 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 55
6
+ 2025-09-26 08:16:19,836 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.3772
7
+ 2025-09-26 08:16:29,891 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.3297 | Val rms_score: 0.3845
8
+ 2025-09-26 08:16:41,052 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2739 | Val rms_score: 0.3883
9
+ 2025-09-26 08:16:52,658 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1961 | Val rms_score: 0.4210
10
+ 2025-09-26 08:17:03,502 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1739 | Val rms_score: 0.3759
11
+ 2025-09-26 08:17:03,653 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 275
12
+ 2025-09-26 08:17:04,209 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val rms_score: 0.3759
13
+ 2025-09-26 08:17:16,004 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1417 | Val rms_score: 0.3563
14
+ 2025-09-26 08:17:16,512 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 330
15
+ 2025-09-26 08:17:17,095 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 6 with val rms_score: 0.3563
16
+ 2025-09-26 08:17:27,734 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1017 | Val rms_score: 0.3809
17
+ 2025-09-26 08:17:38,810 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0879 | Val rms_score: 0.3590
18
+ 2025-09-26 08:17:50,732 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0744 | Val rms_score: 0.3840
19
+ 2025-09-26 08:18:02,225 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0694 | Val rms_score: 0.3828
20
+ 2025-09-26 08:18:14,148 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0574 | Val rms_score: 0.3713
21
+ 2025-09-26 08:18:26,075 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0534 | Val rms_score: 0.3835
22
+ 2025-09-26 08:18:37,746 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0440 | Val rms_score: 0.3823
23
+ 2025-09-26 08:18:49,673 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0477 | Val rms_score: 0.3550
24
+ 2025-09-26 08:18:49,947 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 770
25
+ 2025-09-26 08:18:50,515 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 14 with val rms_score: 0.3550
26
+ 2025-09-26 08:19:02,219 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0450 | Val rms_score: 0.3593
27
+ 2025-09-26 08:19:14,103 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0403 | Val rms_score: 0.3892
28
+ 2025-09-26 08:19:24,791 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0353 | Val rms_score: 0.3786
29
+ 2025-09-26 08:19:36,210 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0359 | Val rms_score: 0.3674
30
+ 2025-09-26 08:19:49,300 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0359 | Val rms_score: 0.3665
31
+ 2025-09-26 08:19:59,630 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0347 | Val rms_score: 0.3749
32
+ 2025-09-26 08:20:11,738 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0337 | Val rms_score: 0.3705
33
+ 2025-09-26 08:20:23,879 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0233 | Val rms_score: 0.3733
34
+ 2025-09-26 08:20:35,445 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0268 | Val rms_score: 0.3694
35
+ 2025-09-26 08:20:47,441 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0291 | Val rms_score: 0.3723
36
+ 2025-09-26 08:20:59,354 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0261 | Val rms_score: 0.3616
37
+ 2025-09-26 08:21:11,128 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0242 | Val rms_score: 0.3652
38
+ 2025-09-26 08:21:23,017 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0246 | Val rms_score: 0.3596
39
+ 2025-09-26 08:21:34,254 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0262 | Val rms_score: 0.3710
40
+ 2025-09-26 08:21:46,227 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0256 | Val rms_score: 0.3648
41
+ 2025-09-26 08:21:58,341 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0233 | Val rms_score: 0.3613
42
+ 2025-09-26 08:22:10,141 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0254 | Val rms_score: 0.3595
43
+ 2025-09-26 08:22:22,298 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0217 | Val rms_score: 0.3619
44
+ 2025-09-26 08:22:33,946 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0224 | Val rms_score: 0.3642
45
+ 2025-09-26 08:22:45,628 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0219 | Val rms_score: 0.3601
46
+ 2025-09-26 08:22:57,493 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0200 | Val rms_score: 0.3519
47
+ 2025-09-26 08:22:57,650 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1925
48
+ 2025-09-26 08:22:58,204 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 35 with val rms_score: 0.3519
49
+ 2025-09-26 08:23:10,036 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0195 | Val rms_score: 0.3631
50
+ 2025-09-26 08:23:23,316 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0210 | Val rms_score: 0.3724
51
+ 2025-09-26 08:23:34,360 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0178 | Val rms_score: 0.3735
52
+ 2025-09-26 08:23:46,224 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0187 | Val rms_score: 0.3646
53
+ 2025-09-26 08:23:58,126 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0169 | Val rms_score: 0.3617
54
+ 2025-09-26 08:24:10,015 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0179 | Val rms_score: 0.3613
55
+ 2025-09-26 08:24:22,105 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0187 | Val rms_score: 0.3695
56
+ 2025-09-26 08:24:33,499 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0168 | Val rms_score: 0.3596
57
+ 2025-09-26 08:24:45,173 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0163 | Val rms_score: 0.3612
58
+ 2025-09-26 08:24:57,050 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0166 | Val rms_score: 0.3623
59
+ 2025-09-26 08:25:08,797 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0173 | Val rms_score: 0.3546
60
+ 2025-09-26 08:25:21,018 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0156 | Val rms_score: 0.3679
61
+ 2025-09-26 08:25:32,636 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0161 | Val rms_score: 0.3616
62
+ 2025-09-26 08:25:44,383 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0155 | Val rms_score: 0.3632
63
+ 2025-09-26 08:25:56,223 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0152 | Val rms_score: 0.3547
64
+ 2025-09-26 08:26:07,753 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0163 | Val rms_score: 0.3599
65
+ 2025-09-26 08:26:19,176 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0141 | Val rms_score: 0.3604
66
+ 2025-09-26 08:26:30,832 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0134 | Val rms_score: 0.3613
67
+ 2025-09-26 08:26:42,689 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0135 | Val rms_score: 0.3619
68
+ 2025-09-26 08:26:55,590 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0134 | Val rms_score: 0.3614
69
+ 2025-09-26 08:27:06,554 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0138 | Val rms_score: 0.3574
70
+ 2025-09-26 08:27:18,948 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0146 | Val rms_score: 0.3592
71
+ 2025-09-26 08:27:30,152 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0129 | Val rms_score: 0.3582
72
+ 2025-09-26 08:27:41,992 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0130 | Val rms_score: 0.3620
73
+ 2025-09-26 08:27:53,633 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0131 | Val rms_score: 0.3633
74
+ 2025-09-26 08:28:05,426 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0138 | Val rms_score: 0.3608
75
+ 2025-09-26 08:28:17,457 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0123 | Val rms_score: 0.3624
76
+ 2025-09-26 08:28:28,836 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0126 | Val rms_score: 0.3653
77
+ 2025-09-26 08:28:40,667 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0127 | Val rms_score: 0.3614
78
+ 2025-09-26 08:28:52,530 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0129 | Val rms_score: 0.3674
79
+ 2025-09-26 08:29:04,385 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0133 | Val rms_score: 0.3622
80
+ 2025-09-26 08:29:16,489 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0124 | Val rms_score: 0.3560
81
+ 2025-09-26 08:29:28,126 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0124 | Val rms_score: 0.3689
82
+ 2025-09-26 08:29:39,952 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0111 | Val rms_score: 0.3601
83
+ 2025-09-26 08:29:51,753 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0123 | Val rms_score: 0.3600
84
+ 2025-09-26 08:30:03,727 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0128 | Val rms_score: 0.3673
85
+ 2025-09-26 08:30:16,157 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0120 | Val rms_score: 0.3625
86
+ 2025-09-26 08:30:28,914 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0113 | Val rms_score: 0.3627
87
+ 2025-09-26 08:30:40,818 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0130 | Val rms_score: 0.3564
88
+ 2025-09-26 08:30:52,958 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0109 | Val rms_score: 0.3587
89
+ 2025-09-26 08:31:05,030 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0124 | Val rms_score: 0.3580
90
+ 2025-09-26 08:31:17,546 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0113 | Val rms_score: 0.3570
91
+ 2025-09-26 08:31:29,567 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0108 | Val rms_score: 0.3592
92
+ 2025-09-26 08:31:41,499 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0114 | Val rms_score: 0.3603
93
+ 2025-09-26 08:31:53,574 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0119 | Val rms_score: 0.3615
94
+ 2025-09-26 08:32:05,725 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0111 | Val rms_score: 0.3604
95
+ 2025-09-26 08:32:18,260 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0092 | Val rms_score: 0.3602
96
+ 2025-09-26 08:32:30,437 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0104 | Val rms_score: 0.3627
97
+ 2025-09-26 08:32:42,731 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0104 | Val rms_score: 0.3628
98
+ 2025-09-26 08:32:54,723 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0104 | Val rms_score: 0.3620
99
+ 2025-09-26 08:33:06,758 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0104 | Val rms_score: 0.3590
100
+ 2025-09-26 08:33:19,209 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0102 | Val rms_score: 0.3628
101
+ 2025-09-26 08:33:31,368 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0120 | Val rms_score: 0.3580
102
+ 2025-09-26 08:33:43,630 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0104 | Val rms_score: 0.3587
103
+ 2025-09-26 08:33:55,741 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0105 | Val rms_score: 0.3646
104
+ 2025-09-26 08:34:08,951 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0107 | Val rms_score: 0.3571
105
+ 2025-09-26 08:34:21,731 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0104 | Val rms_score: 0.3610
106
+ 2025-09-26 08:34:33,890 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0100 | Val rms_score: 0.3633
107
+ 2025-09-26 08:34:46,025 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0094 | Val rms_score: 0.3615
108
+ 2025-09-26 08:34:58,119 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0097 | Val rms_score: 0.3538
109
+ 2025-09-26 08:35:10,266 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0102 | Val rms_score: 0.3547
110
+ 2025-09-26 08:35:22,314 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0099 | Val rms_score: 0.3560
111
+ 2025-09-26 08:35:32,655 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0103 | Val rms_score: 0.3608
112
+ 2025-09-26 08:35:44,507 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0093 | Val rms_score: 0.3590
113
+ 2025-09-26 08:35:56,173 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0100 | Val rms_score: 0.3608
114
+ 2025-09-26 08:35:57,142 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Test rms_score: 0.4718
115
+ 2025-09-26 08:35:57,448 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset adme_solubility at 2025-09-26_08-35-57
116
+ 2025-09-26 08:36:08,063 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6000 | Val rms_score: 0.4552
117
+ 2025-09-26 08:36:08,063 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 55
118
+ 2025-09-26 08:36:08,699 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4552
119
+ 2025-09-26 08:36:20,037 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.3891 | Val rms_score: 0.3869
120
+ 2025-09-26 08:36:20,215 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 110
121
+ 2025-09-26 08:36:20,797 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3869
122
+ 2025-09-26 08:36:32,366 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2977 | Val rms_score: 0.3510
123
+ 2025-09-26 08:36:32,558 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 165
124
+ 2025-09-26 08:36:33,125 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.3510
125
+ 2025-09-26 08:36:44,677 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1883 | Val rms_score: 0.4121
126
+ 2025-09-26 08:36:55,303 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1580 | Val rms_score: 0.3607
127
+ 2025-09-26 08:37:07,271 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1203 | Val rms_score: 0.3871
128
+ 2025-09-26 08:37:18,323 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0972 | Val rms_score: 0.3865
129
+ 2025-09-26 08:37:29,876 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0773 | Val rms_score: 0.4085
130
+ 2025-09-26 08:37:41,323 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0713 | Val rms_score: 0.3785
131
+ 2025-09-26 08:37:52,972 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0659 | Val rms_score: 0.3863
132
+ 2025-09-26 08:38:04,479 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0691 | Val rms_score: 0.3501
133
+ 2025-09-26 08:38:04,982 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 605
134
+ 2025-09-26 08:38:05,572 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 11 with val rms_score: 0.3501
135
+ 2025-09-26 08:38:17,434 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0577 | Val rms_score: 0.3676
136
+ 2025-09-26 08:38:28,737 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0474 | Val rms_score: 0.3807
137
+ 2025-09-26 08:38:40,240 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0491 | Val rms_score: 0.3538
138
+ 2025-09-26 08:38:52,083 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0391 | Val rms_score: 0.3665
139
+ 2025-09-26 08:39:03,851 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0355 | Val rms_score: 0.3716
140
+ 2025-09-26 08:39:16,135 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0388 | Val rms_score: 0.3683
141
+ 2025-09-26 08:39:27,579 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0375 | Val rms_score: 0.3709
142
+ 2025-09-26 08:39:41,740 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0347 | Val rms_score: 0.3634
143
+ 2025-09-26 08:39:52,692 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0318 | Val rms_score: 0.3657
144
+ 2025-09-26 08:40:04,327 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0301 | Val rms_score: 0.3473
145
+ 2025-09-26 08:40:04,796 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1155
146
+ 2025-09-26 08:40:05,368 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 21 with val rms_score: 0.3473
147
+ 2025-09-26 08:40:17,700 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0322 | Val rms_score: 0.3666
148
+ 2025-09-26 08:40:29,830 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0311 | Val rms_score: 0.3604
149
+ 2025-09-26 08:40:42,267 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0273 | Val rms_score: 0.3671
150
+ 2025-09-26 08:40:54,783 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0268 | Val rms_score: 0.3664
151
+ 2025-09-26 08:41:07,338 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0232 | Val rms_score: 0.3579
152
+ 2025-09-26 08:41:20,367 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0230 | Val rms_score: 0.3631
153
+ 2025-09-26 08:41:32,746 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0246 | Val rms_score: 0.3614
154
+ 2025-09-26 08:41:45,332 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0230 | Val rms_score: 0.3660
155
+ 2025-09-26 08:41:57,824 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0220 | Val rms_score: 0.3640
156
+ 2025-09-26 08:42:10,577 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0215 | Val rms_score: 0.3675
157
+ 2025-09-26 08:42:24,280 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0199 | Val rms_score: 0.3552
158
+ 2025-09-26 08:42:37,083 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0208 | Val rms_score: 0.3623
159
+ 2025-09-26 08:42:50,185 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0205 | Val rms_score: 0.3496
160
+ 2025-09-26 08:43:03,304 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0198 | Val rms_score: 0.3580
161
+ 2025-09-26 08:43:16,222 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0197 | Val rms_score: 0.3572
162
+ 2025-09-26 08:43:30,010 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0206 | Val rms_score: 0.3552
163
+ 2025-09-26 08:43:41,843 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0202 | Val rms_score: 0.3617
164
+ 2025-09-26 08:43:55,092 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0182 | Val rms_score: 0.3514
165
+ 2025-09-26 08:44:08,464 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0183 | Val rms_score: 0.3567
166
+ 2025-09-26 08:44:21,699 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0192 | Val rms_score: 0.3605
167
+ 2025-09-26 08:44:34,706 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0149 | Val rms_score: 0.3535
168
+ 2025-09-26 08:44:47,669 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0171 | Val rms_score: 0.3575
169
+ 2025-09-26 08:45:00,703 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0147 | Val rms_score: 0.3640
170
+ 2025-09-26 08:45:13,683 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0166 | Val rms_score: 0.3551
171
+ 2025-09-26 08:45:26,642 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0173 | Val rms_score: 0.3624
172
+ 2025-09-26 08:45:39,101 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0168 | Val rms_score: 0.3589
173
+ 2025-09-26 08:45:51,767 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0161 | Val rms_score: 0.3601
174
+ 2025-09-26 08:46:04,774 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0165 | Val rms_score: 0.3531
175
+ 2025-09-26 08:46:17,836 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0167 | Val rms_score: 0.3583
176
+ 2025-09-26 08:46:30,979 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0150 | Val rms_score: 0.3618
177
+ 2025-09-26 08:46:43,761 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0148 | Val rms_score: 0.3584
178
+ 2025-09-26 08:46:56,791 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0153 | Val rms_score: 0.3622
179
+ 2025-09-26 08:47:10,072 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0147 | Val rms_score: 0.3564
180
+ 2025-09-26 08:47:23,523 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0144 | Val rms_score: 0.3617
181
+ 2025-09-26 08:47:35,654 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0145 | Val rms_score: 0.3560
182
+ 2025-09-26 08:47:48,851 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0148 | Val rms_score: 0.3558
183
+ 2025-09-26 08:48:02,138 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0134 | Val rms_score: 0.3635
184
+ 2025-09-26 08:48:15,490 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0137 | Val rms_score: 0.3578
185
+ 2025-09-26 08:48:28,443 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0140 | Val rms_score: 0.3662
186
+ 2025-09-26 08:48:41,838 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0134 | Val rms_score: 0.3527
187
+ 2025-09-26 08:48:55,195 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0122 | Val rms_score: 0.3626
188
+ 2025-09-26 08:49:08,615 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0155 | Val rms_score: 0.3537
189
+ 2025-09-26 08:49:22,009 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0134 | Val rms_score: 0.3575
190
+ 2025-09-26 08:49:35,121 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0129 | Val rms_score: 0.3585
191
+ 2025-09-26 08:49:48,382 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0123 | Val rms_score: 0.3565
192
+ 2025-09-26 08:50:01,998 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0121 | Val rms_score: 0.3614
193
+ 2025-09-26 08:50:14,757 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0130 | Val rms_score: 0.3643
194
+ 2025-09-26 08:50:27,532 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0124 | Val rms_score: 0.3527
195
+ 2025-09-26 08:50:40,235 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0112 | Val rms_score: 0.3600
196
+ 2025-09-26 08:50:52,732 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0121 | Val rms_score: 0.3592
197
+ 2025-09-26 08:51:05,927 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0113 | Val rms_score: 0.3557
198
+ 2025-09-26 08:51:19,276 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0114 | Val rms_score: 0.3531
199
+ 2025-09-26 08:51:31,228 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0109 | Val rms_score: 0.3557
200
+ 2025-09-26 08:51:43,752 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0116 | Val rms_score: 0.3531
201
+ 2025-09-26 08:51:56,306 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0116 | Val rms_score: 0.3587
202
+ 2025-09-26 08:52:09,794 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0120 | Val rms_score: 0.3621
203
+ 2025-09-26 08:52:22,385 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0116 | Val rms_score: 0.3577
204
+ 2025-09-26 08:52:35,118 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0111 | Val rms_score: 0.3556
205
+ 2025-09-26 08:52:47,866 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0105 | Val rms_score: 0.3524
206
+ 2025-09-26 08:53:00,552 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0107 | Val rms_score: 0.3604
207
+ 2025-09-26 08:53:14,473 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0110 | Val rms_score: 0.3534
208
+ 2025-09-26 08:53:27,160 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0106 | Val rms_score: 0.3574
209
+ 2025-09-26 08:53:39,921 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0102 | Val rms_score: 0.3580
210
+ 2025-09-26 08:53:52,735 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0107 | Val rms_score: 0.3573
211
+ 2025-09-26 08:54:05,824 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0107 | Val rms_score: 0.3539
212
+ 2025-09-26 08:54:19,425 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0113 | Val rms_score: 0.3587
213
+ 2025-09-26 08:54:31,729 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0109 | Val rms_score: 0.3528
214
+ 2025-09-26 08:54:44,754 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0105 | Val rms_score: 0.3506
215
+ 2025-09-26 08:54:57,641 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0104 | Val rms_score: 0.3542
216
+ 2025-09-26 08:55:10,950 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0083 | Val rms_score: 0.3568
217
+ 2025-09-26 08:55:23,477 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0091 | Val rms_score: 0.3565
218
+ 2025-09-26 08:55:35,999 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0109 | Val rms_score: 0.3534
219
+ 2025-09-26 08:55:49,007 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0097 | Val rms_score: 0.3575
220
+ 2025-09-26 08:56:01,768 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0093 | Val rms_score: 0.3543
221
+ 2025-09-26 08:56:14,447 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0099 | Val rms_score: 0.3538
222
+ 2025-09-26 08:56:27,733 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0095 | Val rms_score: 0.3534
223
+ 2025-09-26 08:56:40,444 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0096 | Val rms_score: 0.3581
224
+ 2025-09-26 08:56:53,260 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0097 | Val rms_score: 0.3579
225
+ 2025-09-26 08:57:06,154 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0090 | Val rms_score: 0.3535
226
+ 2025-09-26 08:57:06,984 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Test rms_score: 0.4527
227
+ 2025-09-26 08:57:07,316 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset adme_solubility at 2025-09-26_08-57-07
228
+ 2025-09-26 08:57:19,548 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6273 | Val rms_score: 0.3897
229
+ 2025-09-26 08:57:19,548 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 55
230
+ 2025-09-26 08:57:20,173 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.3897
231
+ 2025-09-26 08:57:33,928 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4000 | Val rms_score: 0.3618
232
+ 2025-09-26 08:57:34,122 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 110
233
+ 2025-09-26 08:57:34,711 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.3618
234
+ 2025-09-26 08:57:48,254 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3000 | Val rms_score: 0.4047
235
+ 2025-09-26 08:58:00,618 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1805 | Val rms_score: 0.3807
236
+ 2025-09-26 08:58:13,515 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1420 | Val rms_score: 0.4054
237
+ 2025-09-26 08:58:25,629 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1073 | Val rms_score: 0.4107
238
+ 2025-09-26 08:58:37,953 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1017 | Val rms_score: 0.3649
239
+ 2025-09-26 08:58:49,181 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0898 | Val rms_score: 0.3798
240
+ 2025-09-26 08:58:59,704 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0801 | Val rms_score: 0.3762
241
+ 2025-09-26 08:59:11,140 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0753 | Val rms_score: 0.3884
242
+ 2025-09-26 08:59:21,811 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0777 | Val rms_score: 0.3800
243
+ 2025-09-26 08:59:33,828 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0588 | Val rms_score: 0.3911
244
+ 2025-09-26 08:59:45,159 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0581 | Val rms_score: 0.3806
245
+ 2025-09-26 08:59:56,836 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0534 | Val rms_score: 0.3763
246
+ 2025-09-26 09:00:08,582 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0491 | Val rms_score: 0.3708
247
+ 2025-09-26 09:00:20,524 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0386 | Val rms_score: 0.3660
248
+ 2025-09-26 09:00:32,760 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0350 | Val rms_score: 0.3830
249
+ 2025-09-26 09:00:43,364 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0348 | Val rms_score: 0.3616
250
+ 2025-09-26 09:00:43,518 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 990
251
+ 2025-09-26 09:00:44,143 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 18 with val rms_score: 0.3616
252
+ 2025-09-26 09:00:56,957 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0309 | Val rms_score: 0.3681
253
+ 2025-09-26 09:01:07,169 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0315 | Val rms_score: 0.3614
254
+ 2025-09-26 09:01:07,459 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1100
255
+ 2025-09-26 09:01:08,035 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 20 with val rms_score: 0.3614
256
+ 2025-09-26 09:01:20,062 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0321 | Val rms_score: 0.3613
257
+ 2025-09-26 09:01:20,547 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1155
258
+ 2025-09-26 09:01:21,175 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 21 with val rms_score: 0.3613
259
+ 2025-09-26 09:01:32,951 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0363 | Val rms_score: 0.3715
260
+ 2025-09-26 09:01:44,374 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0283 | Val rms_score: 0.3644
261
+ 2025-09-26 09:01:56,302 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0314 | Val rms_score: 0.3575
262
+ 2025-09-26 09:01:56,485 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1320
263
+ 2025-09-26 09:01:57,094 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 24 with val rms_score: 0.3575
264
+ 2025-09-26 09:02:09,213 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0286 | Val rms_score: 0.3649
265
+ 2025-09-26 09:02:21,158 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0250 | Val rms_score: 0.3707
266
+ 2025-09-26 09:02:33,613 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0244 | Val rms_score: 0.3642
267
+ 2025-09-26 09:02:45,374 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0254 | Val rms_score: 0.3585
268
+ 2025-09-26 09:02:56,985 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0230 | Val rms_score: 0.3704
269
+ 2025-09-26 09:03:08,799 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0227 | Val rms_score: 0.3518
270
+ 2025-09-26 09:03:08,956 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1650
271
+ 2025-09-26 09:03:09,515 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 30 with val rms_score: 0.3518
272
+ 2025-09-26 09:03:22,251 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0177 | Val rms_score: 0.3594
273
+ 2025-09-26 09:03:34,537 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0203 | Val rms_score: 0.3724
274
+ 2025-09-26 09:03:46,398 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0233 | Val rms_score: 0.3562
275
+ 2025-09-26 09:03:58,574 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0199 | Val rms_score: 0.3659
276
+ 2025-09-26 09:04:10,704 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0241 | Val rms_score: 0.3596
277
+ 2025-09-26 09:04:22,728 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0203 | Val rms_score: 0.3580
278
+ 2025-09-26 09:04:36,635 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0184 | Val rms_score: 0.3666
279
+ 2025-09-26 09:04:48,587 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0216 | Val rms_score: 0.3789
280
+ 2025-09-26 09:05:00,710 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0179 | Val rms_score: 0.3651
281
+ 2025-09-26 09:05:12,979 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0182 | Val rms_score: 0.3607
282
+ 2025-09-26 09:05:24,955 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0183 | Val rms_score: 0.3669
283
+ 2025-09-26 09:05:37,626 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0178 | Val rms_score: 0.3564
284
+ 2025-09-26 09:05:49,784 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0186 | Val rms_score: 0.3579
285
+ 2025-09-26 09:06:02,004 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0143 | Val rms_score: 0.3652
286
+ 2025-09-26 09:06:14,252 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0165 | Val rms_score: 0.3673
287
+ 2025-09-26 09:06:26,576 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0168 | Val rms_score: 0.3559
288
+ 2025-09-26 09:06:39,515 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0168 | Val rms_score: 0.3596
289
+ 2025-09-26 09:06:51,369 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0161 | Val rms_score: 0.3600
290
+ 2025-09-26 09:07:03,507 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0156 | Val rms_score: 0.3587
291
+ 2025-09-26 09:07:15,531 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0163 | Val rms_score: 0.3713
292
+ 2025-09-26 09:07:27,493 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0145 | Val rms_score: 0.3589
293
+ 2025-09-26 09:07:40,051 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0151 | Val rms_score: 0.3652
294
+ 2025-09-26 09:07:52,138 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0147 | Val rms_score: 0.3579
295
+ 2025-09-26 09:08:04,430 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0143 | Val rms_score: 0.3647
296
+ 2025-09-26 09:08:18,045 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0145 | Val rms_score: 0.3545
297
+ 2025-09-26 09:08:29,830 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0143 | Val rms_score: 0.3636
298
+ 2025-09-26 09:08:42,340 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0131 | Val rms_score: 0.3637
299
+ 2025-09-26 09:08:54,596 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0145 | Val rms_score: 0.3609
300
+ 2025-09-26 09:09:06,722 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0136 | Val rms_score: 0.3669
301
+ 2025-09-26 09:09:18,514 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0131 | Val rms_score: 0.3660
302
+ 2025-09-26 09:09:30,371 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0139 | Val rms_score: 0.3692
303
+ 2025-09-26 09:09:43,054 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0111 | Val rms_score: 0.3631
304
+ 2025-09-26 09:09:54,943 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0122 | Val rms_score: 0.3643
305
+ 2025-09-26 09:10:07,009 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0128 | Val rms_score: 0.3630
306
+ 2025-09-26 09:10:19,112 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0136 | Val rms_score: 0.3590
307
+ 2025-09-26 09:10:31,384 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0126 | Val rms_score: 0.3661
308
+ 2025-09-26 09:10:44,359 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0116 | Val rms_score: 0.3650
309
+ 2025-09-26 09:10:56,425 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0125 | Val rms_score: 0.3627
310
+ 2025-09-26 09:11:08,645 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0121 | Val rms_score: 0.3592
311
+ 2025-09-26 09:11:21,000 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0121 | Val rms_score: 0.3638
312
+ 2025-09-26 09:11:33,252 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0088 | Val rms_score: 0.3629
313
+ 2025-09-26 09:11:46,312 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0112 | Val rms_score: 0.3667
314
+ 2025-09-26 09:11:59,651 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0113 | Val rms_score: 0.3680
315
+ 2025-09-26 09:12:11,673 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0112 | Val rms_score: 0.3660
316
+ 2025-09-26 09:12:24,323 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0128 | Val rms_score: 0.3628
317
+ 2025-09-26 09:12:37,108 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0115 | Val rms_score: 0.3640
318
+ 2025-09-26 09:12:50,582 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0116 | Val rms_score: 0.3572
319
+ 2025-09-26 09:13:03,142 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0110 | Val rms_score: 0.3622
320
+ 2025-09-26 09:13:15,923 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0101 | Val rms_score: 0.3571
321
+ 2025-09-26 09:13:29,042 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0116 | Val rms_score: 0.3586
322
+ 2025-09-26 09:13:41,804 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0109 | Val rms_score: 0.3661
323
+ 2025-09-26 09:13:55,060 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0103 | Val rms_score: 0.3589
324
+ 2025-09-26 09:14:07,705 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0118 | Val rms_score: 0.3568
325
+ 2025-09-26 09:14:20,527 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0103 | Val rms_score: 0.3647
326
+ 2025-09-26 09:14:33,450 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0115 | Val rms_score: 0.3593
327
+ 2025-09-26 09:14:46,297 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0107 | Val rms_score: 0.3603
328
+ 2025-09-26 09:14:59,880 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0104 | Val rms_score: 0.3591
329
+ 2025-09-26 09:15:12,691 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0102 | Val rms_score: 0.3641
330
+ 2025-09-26 09:15:25,931 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0099 | Val rms_score: 0.3613
331
+ 2025-09-26 09:15:38,793 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0109 | Val rms_score: 0.3649
332
+ 2025-09-26 09:15:52,411 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0083 | Val rms_score: 0.3574
333
+ 2025-09-26 09:16:04,493 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0104 | Val rms_score: 0.3632
334
+ 2025-09-26 09:16:17,752 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0107 | Val rms_score: 0.3599
335
+ 2025-09-26 09:16:30,692 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0098 | Val rms_score: 0.3631
336
+ 2025-09-26 09:16:43,778 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0101 | Val rms_score: 0.3609
337
+ 2025-09-26 09:16:56,849 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0096 | Val rms_score: 0.3575
338
+ 2025-09-26 09:17:10,690 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0096 | Val rms_score: 0.3687
339
+ 2025-09-26 09:17:24,146 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0099 | Val rms_score: 0.3580
340
+ 2025-09-26 09:17:37,394 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0099 | Val rms_score: 0.3603
341
+ 2025-09-26 09:17:50,720 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0091 | Val rms_score: 0.3603
342
+ 2025-09-26 09:17:51,757 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Test rms_score: 0.4678
343
+ 2025-09-26 09:17:52,092 - logs_modchembert_adme_solubility_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.4641, Std Dev: 0.0082
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_cl_epochs100_batch_size32_20250926_091752.log ADDED
@@ -0,0 +1,317 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 09:17:52,093 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Running benchmark for dataset: astrazeneca_cl
2
+ 2025-09-26 09:17:52,093 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - dataset: astrazeneca_cl, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 09:17:52,121 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset astrazeneca_cl at 2025-09-26_09-17-52
4
+ 2025-09-26 09:18:01,990 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7222 | Val rms_score: 0.4567
5
+ 2025-09-26 09:18:01,990 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Global step of best model: 36
6
+ 2025-09-26 09:18:02,667 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4567
7
+ 2025-09-26 09:18:13,199 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4896 | Val rms_score: 0.4569
8
+ 2025-09-26 09:18:22,845 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3750 | Val rms_score: 0.4770
9
+ 2025-09-26 09:18:31,754 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2986 | Val rms_score: 0.4706
10
+ 2025-09-26 09:18:41,141 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2517 | Val rms_score: 0.4658
11
+ 2025-09-26 09:18:50,256 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1982 | Val rms_score: 0.4794
12
+ 2025-09-26 09:18:58,946 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1658 | Val rms_score: 0.5264
13
+ 2025-09-26 09:19:07,318 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1380 | Val rms_score: 0.4953
14
+ 2025-09-26 09:19:16,449 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1322 | Val rms_score: 0.4942
15
+ 2025-09-26 09:19:25,634 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1081 | Val rms_score: 0.4949
16
+ 2025-09-26 09:19:34,810 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0929 | Val rms_score: 0.5086
17
+ 2025-09-26 09:19:44,285 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0835 | Val rms_score: 0.5035
18
+ 2025-09-26 09:19:53,268 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0842 | Val rms_score: 0.5044
19
+ 2025-09-26 09:20:02,366 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0576 | Val rms_score: 0.4967
20
+ 2025-09-26 09:20:11,850 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0690 | Val rms_score: 0.5047
21
+ 2025-09-26 09:20:21,027 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0625 | Val rms_score: 0.5055
22
+ 2025-09-26 09:20:30,593 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0671 | Val rms_score: 0.5109
23
+ 2025-09-26 09:20:39,577 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0608 | Val rms_score: 0.5095
24
+ 2025-09-26 09:20:48,677 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0556 | Val rms_score: 0.4954
25
+ 2025-09-26 09:20:58,149 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0578 | Val rms_score: 0.4935
26
+ 2025-09-26 09:21:07,412 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0514 | Val rms_score: 0.5016
27
+ 2025-09-26 09:21:17,102 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0480 | Val rms_score: 0.5032
28
+ 2025-09-26 09:21:25,982 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0477 | Val rms_score: 0.4987
29
+ 2025-09-26 09:21:35,237 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0454 | Val rms_score: 0.4991
30
+ 2025-09-26 09:21:44,444 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0432 | Val rms_score: 0.4936
31
+ 2025-09-26 09:21:53,671 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0460 | Val rms_score: 0.4982
32
+ 2025-09-26 09:22:03,421 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0477 | Val rms_score: 0.4954
33
+ 2025-09-26 09:22:13,389 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0432 | Val rms_score: 0.4929
34
+ 2025-09-26 09:22:22,618 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0375 | Val rms_score: 0.4982
35
+ 2025-09-26 09:22:31,761 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0362 | Val rms_score: 0.4928
36
+ 2025-09-26 09:22:40,815 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0427 | Val rms_score: 0.4942
37
+ 2025-09-26 09:22:50,440 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0367 | Val rms_score: 0.4951
38
+ 2025-09-26 09:22:59,339 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0339 | Val rms_score: 0.4986
39
+ 2025-09-26 09:23:08,583 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0312 | Val rms_score: 0.4985
40
+ 2025-09-26 09:23:18,235 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0336 | Val rms_score: 0.4914
41
+ 2025-09-26 09:23:27,454 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0326 | Val rms_score: 0.4967
42
+ 2025-09-26 09:23:36,950 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0356 | Val rms_score: 0.4948
43
+ 2025-09-26 09:23:45,874 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0328 | Val rms_score: 0.5018
44
+ 2025-09-26 09:23:55,280 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0251 | Val rms_score: 0.4957
45
+ 2025-09-26 09:24:04,354 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0265 | Val rms_score: 0.4892
46
+ 2025-09-26 09:24:13,471 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0251 | Val rms_score: 0.4917
47
+ 2025-09-26 09:24:23,012 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0278 | Val rms_score: 0.4949
48
+ 2025-09-26 09:24:31,993 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0347 | Val rms_score: 0.4959
49
+ 2025-09-26 09:24:41,287 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0270 | Val rms_score: 0.4951
50
+ 2025-09-26 09:24:50,690 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0275 | Val rms_score: 0.4888
51
+ 2025-09-26 09:24:59,945 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0276 | Val rms_score: 0.4960
52
+ 2025-09-26 09:25:09,596 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0260 | Val rms_score: 0.4888
53
+ 2025-09-26 09:25:18,418 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0243 | Val rms_score: 0.4902
54
+ 2025-09-26 09:25:27,678 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0229 | Val rms_score: 0.4919
55
+ 2025-09-26 09:25:36,954 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0244 | Val rms_score: 0.4910
56
+ 2025-09-26 09:25:46,133 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0240 | Val rms_score: 0.4904
57
+ 2025-09-26 09:25:55,734 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0216 | Val rms_score: 0.4913
58
+ 2025-09-26 09:26:04,644 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0168 | Val rms_score: 0.4873
59
+ 2025-09-26 09:26:13,567 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0221 | Val rms_score: 0.4896
60
+ 2025-09-26 09:26:22,608 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0202 | Val rms_score: 0.4912
61
+ 2025-09-26 09:26:33,846 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0234 | Val rms_score: 0.4884
62
+ 2025-09-26 09:26:43,157 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0248 | Val rms_score: 0.4953
63
+ 2025-09-26 09:26:52,071 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0239 | Val rms_score: 0.4935
64
+ 2025-09-26 09:27:01,436 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0218 | Val rms_score: 0.4909
65
+ 2025-09-26 09:27:10,760 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0209 | Val rms_score: 0.4900
66
+ 2025-09-26 09:27:19,803 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0199 | Val rms_score: 0.4905
67
+ 2025-09-26 09:27:29,527 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0195 | Val rms_score: 0.4878
68
+ 2025-09-26 09:27:38,464 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0196 | Val rms_score: 0.4906
69
+ 2025-09-26 09:27:47,767 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0177 | Val rms_score: 0.4929
70
+ 2025-09-26 09:27:57,122 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0194 | Val rms_score: 0.4857
71
+ 2025-09-26 09:28:06,506 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0182 | Val rms_score: 0.4941
72
+ 2025-09-26 09:28:16,021 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0185 | Val rms_score: 0.4847
73
+ 2025-09-26 09:28:24,880 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0174 | Val rms_score: 0.4878
74
+ 2025-09-26 09:28:34,057 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0190 | Val rms_score: 0.4912
75
+ 2025-09-26 09:28:43,271 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0144 | Val rms_score: 0.4884
76
+ 2025-09-26 09:28:52,557 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0163 | Val rms_score: 0.4852
77
+ 2025-09-26 09:29:02,070 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0163 | Val rms_score: 0.4857
78
+ 2025-09-26 09:29:10,742 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0202 | Val rms_score: 0.4932
79
+ 2025-09-26 09:29:20,024 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0167 | Val rms_score: 0.4910
80
+ 2025-09-26 09:29:29,203 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0181 | Val rms_score: 0.4856
81
+ 2025-09-26 09:29:38,384 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0186 | Val rms_score: 0.4842
82
+ 2025-09-26 09:29:48,045 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0199 | Val rms_score: 0.4863
83
+ 2025-09-26 09:29:57,077 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0168 | Val rms_score: 0.4875
84
+ 2025-09-26 09:30:06,243 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0155 | Val rms_score: 0.4851
85
+ 2025-09-26 09:30:15,549 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0189 | Val rms_score: 0.4812
86
+ 2025-09-26 09:30:24,592 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0146 | Val rms_score: 0.4875
87
+ 2025-09-26 09:30:34,170 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0168 | Val rms_score: 0.4844
88
+ 2025-09-26 09:30:42,952 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0187 | Val rms_score: 0.4909
89
+ 2025-09-26 09:30:54,692 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0164 | Val rms_score: 0.4871
90
+ 2025-09-26 09:31:02,772 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0156 | Val rms_score: 0.4843
91
+ 2025-09-26 09:31:11,752 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0160 | Val rms_score: 0.4907
92
+ 2025-09-26 09:31:21,270 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0151 | Val rms_score: 0.4917
93
+ 2025-09-26 09:31:30,084 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0164 | Val rms_score: 0.4879
94
+ 2025-09-26 09:31:39,297 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0112 | Val rms_score: 0.4877
95
+ 2025-09-26 09:31:48,362 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0150 | Val rms_score: 0.4867
96
+ 2025-09-26 09:31:57,518 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0140 | Val rms_score: 0.4853
97
+ 2025-09-26 09:32:07,075 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0177 | Val rms_score: 0.4862
98
+ 2025-09-26 09:32:15,972 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0149 | Val rms_score: 0.4874
99
+ 2025-09-26 09:32:25,280 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0142 | Val rms_score: 0.4884
100
+ 2025-09-26 09:32:34,335 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0154 | Val rms_score: 0.4864
101
+ 2025-09-26 09:32:43,661 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0144 | Val rms_score: 0.4825
102
+ 2025-09-26 09:32:52,901 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0149 | Val rms_score: 0.4845
103
+ 2025-09-26 09:33:01,459 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0158 | Val rms_score: 0.4840
104
+ 2025-09-26 09:33:10,575 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0143 | Val rms_score: 0.4843
105
+ 2025-09-26 09:33:19,675 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0126 | Val rms_score: 0.4874
106
+ 2025-09-26 09:33:20,540 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Test rms_score: 0.4976
107
+ 2025-09-26 09:33:20,882 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset astrazeneca_cl at 2025-09-26_09-33-20
108
+ 2025-09-26 09:33:29,060 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7188 | Val rms_score: 0.4531
109
+ 2025-09-26 09:33:29,060 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Global step of best model: 36
110
+ 2025-09-26 09:33:29,603 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4531
111
+ 2025-09-26 09:33:38,146 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4826 | Val rms_score: 0.4851
112
+ 2025-09-26 09:33:47,210 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3516 | Val rms_score: 0.4575
113
+ 2025-09-26 09:33:56,385 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2830 | Val rms_score: 0.4716
114
+ 2025-09-26 09:34:05,243 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2274 | Val rms_score: 0.4888
115
+ 2025-09-26 09:34:15,013 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1973 | Val rms_score: 0.4898
116
+ 2025-09-26 09:34:24,917 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1684 | Val rms_score: 0.4919
117
+ 2025-09-26 09:34:34,160 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1372 | Val rms_score: 0.4948
118
+ 2025-09-26 09:34:43,958 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1120 | Val rms_score: 0.4974
119
+ 2025-09-26 09:34:53,692 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1102 | Val rms_score: 0.5046
120
+ 2025-09-26 09:35:03,526 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0946 | Val rms_score: 0.4927
121
+ 2025-09-26 09:35:13,354 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0835 | Val rms_score: 0.4947
122
+ 2025-09-26 09:35:22,496 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0790 | Val rms_score: 0.4973
123
+ 2025-09-26 09:35:32,060 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0630 | Val rms_score: 0.4955
124
+ 2025-09-26 09:35:41,582 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0642 | Val rms_score: 0.4956
125
+ 2025-09-26 09:35:51,138 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0629 | Val rms_score: 0.5051
126
+ 2025-09-26 09:36:00,746 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0729 | Val rms_score: 0.5134
127
+ 2025-09-26 09:36:10,277 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0621 | Val rms_score: 0.4993
128
+ 2025-09-26 09:36:20,099 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0577 | Val rms_score: 0.4999
129
+ 2025-09-26 09:36:29,989 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0637 | Val rms_score: 0.4966
130
+ 2025-09-26 09:36:39,621 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0536 | Val rms_score: 0.4945
131
+ 2025-09-26 09:36:49,559 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0519 | Val rms_score: 0.5062
132
+ 2025-09-26 09:36:59,035 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0469 | Val rms_score: 0.4937
133
+ 2025-09-26 09:37:09,222 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0445 | Val rms_score: 0.4974
134
+ 2025-09-26 09:37:19,582 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0419 | Val rms_score: 0.4997
135
+ 2025-09-26 09:37:29,964 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0464 | Val rms_score: 0.4848
136
+ 2025-09-26 09:37:40,149 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0467 | Val rms_score: 0.4915
137
+ 2025-09-26 09:37:51,547 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0481 | Val rms_score: 0.4920
138
+ 2025-09-26 09:38:00,563 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0360 | Val rms_score: 0.4874
139
+ 2025-09-26 09:38:09,537 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0349 | Val rms_score: 0.4894
140
+ 2025-09-26 09:38:20,049 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0317 | Val rms_score: 0.4928
141
+ 2025-09-26 09:38:30,503 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0356 | Val rms_score: 0.5002
142
+ 2025-09-26 09:38:40,638 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0343 | Val rms_score: 0.4931
143
+ 2025-09-26 09:38:51,206 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0339 | Val rms_score: 0.4821
144
+ 2025-09-26 09:39:01,727 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0323 | Val rms_score: 0.4892
145
+ 2025-09-26 09:39:12,301 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0321 | Val rms_score: 0.4885
146
+ 2025-09-26 09:39:22,960 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0302 | Val rms_score: 0.4920
147
+ 2025-09-26 09:39:33,039 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0310 | Val rms_score: 0.4921
148
+ 2025-09-26 09:39:43,390 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0383 | Val rms_score: 0.4886
149
+ 2025-09-26 09:39:53,749 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0308 | Val rms_score: 0.4878
150
+ 2025-09-26 09:40:03,844 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0276 | Val rms_score: 0.4936
151
+ 2025-09-26 09:40:14,023 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0298 | Val rms_score: 0.4901
152
+ 2025-09-26 09:40:23,694 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0252 | Val rms_score: 0.4863
153
+ 2025-09-26 09:40:34,048 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0278 | Val rms_score: 0.4851
154
+ 2025-09-26 09:40:44,139 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0252 | Val rms_score: 0.4905
155
+ 2025-09-26 09:40:54,419 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0272 | Val rms_score: 0.4888
156
+ 2025-09-26 09:41:04,655 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0243 | Val rms_score: 0.4918
157
+ 2025-09-26 09:41:14,264 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0262 | Val rms_score: 0.4841
158
+ 2025-09-26 09:41:24,314 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0260 | Val rms_score: 0.4890
159
+ 2025-09-26 09:41:34,015 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0226 | Val rms_score: 0.4933
160
+ 2025-09-26 09:41:43,799 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0232 | Val rms_score: 0.4859
161
+ 2025-09-26 09:41:53,512 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0252 | Val rms_score: 0.4880
162
+ 2025-09-26 09:42:02,465 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0248 | Val rms_score: 0.4853
163
+ 2025-09-26 09:42:12,017 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0234 | Val rms_score: 0.4895
164
+ 2025-09-26 09:42:21,667 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0237 | Val rms_score: 0.4816
165
+ 2025-09-26 09:42:33,016 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0242 | Val rms_score: 0.4866
166
+ 2025-09-26 09:42:42,672 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0206 | Val rms_score: 0.4811
167
+ 2025-09-26 09:42:51,517 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0224 | Val rms_score: 0.4903
168
+ 2025-09-26 09:43:01,049 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0229 | Val rms_score: 0.4897
169
+ 2025-09-26 09:43:10,212 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0200 | Val rms_score: 0.4874
170
+ 2025-09-26 09:43:19,410 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0209 | Val rms_score: 0.4829
171
+ 2025-09-26 09:43:28,990 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0205 | Val rms_score: 0.4812
172
+ 2025-09-26 09:43:37,802 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0194 | Val rms_score: 0.4909
173
+ 2025-09-26 09:43:46,867 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0291 | Val rms_score: 0.4811
174
+ 2025-09-26 09:43:56,179 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0216 | Val rms_score: 0.4834
175
+ 2025-09-26 09:44:05,549 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0181 | Val rms_score: 0.4829
176
+ 2025-09-26 09:44:14,993 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0204 | Val rms_score: 0.4835
177
+ 2025-09-26 09:44:23,631 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0200 | Val rms_score: 0.4826
178
+ 2025-09-26 09:44:32,974 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0191 | Val rms_score: 0.4873
179
+ 2025-09-26 09:44:42,185 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0192 | Val rms_score: 0.4863
180
+ 2025-09-26 09:44:51,703 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0174 | Val rms_score: 0.4885
181
+ 2025-09-26 09:45:01,521 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0170 | Val rms_score: 0.4809
182
+ 2025-09-26 09:45:10,496 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0188 | Val rms_score: 0.4830
183
+ 2025-09-26 09:45:19,969 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0171 | Val rms_score: 0.4789
184
+ 2025-09-26 09:45:29,083 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0171 | Val rms_score: 0.4813
185
+ 2025-09-26 09:45:38,413 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0166 | Val rms_score: 0.4810
186
+ 2025-09-26 09:45:48,111 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0167 | Val rms_score: 0.4825
187
+ 2025-09-26 09:45:57,064 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0164 | Val rms_score: 0.4802
188
+ 2025-09-26 09:46:06,228 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0169 | Val rms_score: 0.4817
189
+ 2025-09-26 09:46:15,497 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0161 | Val rms_score: 0.4840
190
+ 2025-09-26 09:46:24,838 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0142 | Val rms_score: 0.4796
191
+ 2025-09-26 09:46:34,432 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0156 | Val rms_score: 0.4795
192
+ 2025-09-26 09:46:43,388 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0161 | Val rms_score: 0.4803
193
+ 2025-09-26 09:46:55,111 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0172 | Val rms_score: 0.4796
194
+ 2025-09-26 09:47:03,014 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0158 | Val rms_score: 0.4795
195
+ 2025-09-26 09:47:12,457 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0148 | Val rms_score: 0.4793
196
+ 2025-09-26 09:47:22,276 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0162 | Val rms_score: 0.4820
197
+ 2025-09-26 09:47:31,486 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0155 | Val rms_score: 0.4782
198
+ 2025-09-26 09:47:40,792 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0156 | Val rms_score: 0.4758
199
+ 2025-09-26 09:47:50,082 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0166 | Val rms_score: 0.4801
200
+ 2025-09-26 09:47:59,253 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0148 | Val rms_score: 0.4765
201
+ 2025-09-26 09:48:09,020 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0144 | Val rms_score: 0.4753
202
+ 2025-09-26 09:48:18,072 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0153 | Val rms_score: 0.4782
203
+ 2025-09-26 09:48:27,221 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0144 | Val rms_score: 0.4794
204
+ 2025-09-26 09:48:36,311 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0160 | Val rms_score: 0.4787
205
+ 2025-09-26 09:48:45,714 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0164 | Val rms_score: 0.4786
206
+ 2025-09-26 09:48:55,377 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0140 | Val rms_score: 0.4789
207
+ 2025-09-26 09:49:04,006 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0138 | Val rms_score: 0.4835
208
+ 2025-09-26 09:49:13,183 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0155 | Val rms_score: 0.4797
209
+ 2025-09-26 09:49:22,289 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0156 | Val rms_score: 0.4798
210
+ 2025-09-26 09:49:23,159 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Test rms_score: 0.4884
211
+ 2025-09-26 09:49:23,486 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset astrazeneca_cl at 2025-09-26_09-49-23
212
+ 2025-09-26 09:49:32,071 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7396 | Val rms_score: 0.4637
213
+ 2025-09-26 09:49:32,072 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Global step of best model: 36
214
+ 2025-09-26 09:49:32,660 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.4637
215
+ 2025-09-26 09:49:41,393 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.5035 | Val rms_score: 0.4558
216
+ 2025-09-26 09:49:41,596 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Global step of best model: 72
217
+ 2025-09-26 09:49:42,138 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.4558
218
+ 2025-09-26 09:49:51,436 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.4023 | Val rms_score: 0.4589
219
+ 2025-09-26 09:50:00,820 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3194 | Val rms_score: 0.4624
220
+ 2025-09-26 09:50:08,812 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2222 | Val rms_score: 0.4809
221
+ 2025-09-26 09:50:18,092 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1777 | Val rms_score: 0.4936
222
+ 2025-09-26 09:50:27,779 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1597 | Val rms_score: 0.4822
223
+ 2025-09-26 09:50:36,394 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1302 | Val rms_score: 0.4859
224
+ 2025-09-26 09:50:45,771 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1068 | Val rms_score: 0.4925
225
+ 2025-09-26 09:50:55,052 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1024 | Val rms_score: 0.4859
226
+ 2025-09-26 09:51:04,139 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0911 | Val rms_score: 0.4936
227
+ 2025-09-26 09:51:13,778 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0854 | Val rms_score: 0.4898
228
+ 2025-09-26 09:51:22,675 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0729 | Val rms_score: 0.4860
229
+ 2025-09-26 09:51:31,938 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0654 | Val rms_score: 0.4895
230
+ 2025-09-26 09:51:41,401 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0738 | Val rms_score: 0.4898
231
+ 2025-09-26 09:51:50,399 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0629 | Val rms_score: 0.4942
232
+ 2025-09-26 09:51:59,890 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0775 | Val rms_score: 0.4827
233
+ 2025-09-26 09:52:08,792 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0551 | Val rms_score: 0.4838
234
+ 2025-09-26 09:52:17,986 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0538 | Val rms_score: 0.4890
235
+ 2025-09-26 09:52:27,187 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0543 | Val rms_score: 0.4826
236
+ 2025-09-26 09:52:36,602 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0482 | Val rms_score: 0.4895
237
+ 2025-09-26 09:52:46,121 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0473 | Val rms_score: 0.4858
238
+ 2025-09-26 09:52:54,627 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0472 | Val rms_score: 0.4985
239
+ 2025-09-26 09:53:04,328 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0451 | Val rms_score: 0.4820
240
+ 2025-09-26 09:53:13,309 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0447 | Val rms_score: 0.4836
241
+ 2025-09-26 09:53:22,767 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0399 | Val rms_score: 0.4837
242
+ 2025-09-26 09:53:32,132 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0395 | Val rms_score: 0.4890
243
+ 2025-09-26 09:53:42,110 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0449 | Val rms_score: 0.4878
244
+ 2025-09-26 09:53:51,647 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0378 | Val rms_score: 0.4831
245
+ 2025-09-26 09:54:01,001 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0380 | Val rms_score: 0.4826
246
+ 2025-09-26 09:54:10,378 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0342 | Val rms_score: 0.4876
247
+ 2025-09-26 09:54:20,171 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0397 | Val rms_score: 0.4814
248
+ 2025-09-26 09:54:29,048 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0417 | Val rms_score: 0.4804
249
+ 2025-09-26 09:54:37,948 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0355 | Val rms_score: 0.4918
250
+ 2025-09-26 09:54:47,390 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0310 | Val rms_score: 0.4874
251
+ 2025-09-26 09:54:56,643 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0286 | Val rms_score: 0.4845
252
+ 2025-09-26 09:55:06,439 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0292 | Val rms_score: 0.4820
253
+ 2025-09-26 09:55:15,358 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0275 | Val rms_score: 0.4818
254
+ 2025-09-26 09:55:24,591 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0295 | Val rms_score: 0.4827
255
+ 2025-09-26 09:55:33,954 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0280 | Val rms_score: 0.4750
256
+ 2025-09-26 09:55:43,416 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0302 | Val rms_score: 0.4843
257
+ 2025-09-26 09:55:53,255 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0265 | Val rms_score: 0.4793
258
+ 2025-09-26 09:56:02,758 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0297 | Val rms_score: 0.4767
259
+ 2025-09-26 09:56:12,141 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0308 | Val rms_score: 0.4795
260
+ 2025-09-26 09:56:21,691 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0283 | Val rms_score: 0.4817
261
+ 2025-09-26 09:56:31,224 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0239 | Val rms_score: 0.4805
262
+ 2025-09-26 09:56:41,189 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0224 | Val rms_score: 0.4846
263
+ 2025-09-26 09:56:50,608 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0222 | Val rms_score: 0.4841
264
+ 2025-09-26 09:57:00,026 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0235 | Val rms_score: 0.4747
265
+ 2025-09-26 09:57:09,587 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0221 | Val rms_score: 0.4809
266
+ 2025-09-26 09:57:18,963 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0228 | Val rms_score: 0.4841
267
+ 2025-09-26 09:57:29,245 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0224 | Val rms_score: 0.4822
268
+ 2025-09-26 09:57:38,816 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0203 | Val rms_score: 0.4806
269
+ 2025-09-26 09:57:48,497 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0216 | Val rms_score: 0.4759
270
+ 2025-09-26 09:57:58,294 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0216 | Val rms_score: 0.4802
271
+ 2025-09-26 09:58:09,133 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0214 | Val rms_score: 0.4805
272
+ 2025-09-26 09:58:18,495 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0202 | Val rms_score: 0.4785
273
+ 2025-09-26 09:58:28,167 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0207 | Val rms_score: 0.4795
274
+ 2025-09-26 09:58:37,915 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0212 | Val rms_score: 0.4791
275
+ 2025-09-26 09:58:47,714 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0212 | Val rms_score: 0.4800
276
+ 2025-09-26 09:58:57,589 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0229 | Val rms_score: 0.4850
277
+ 2025-09-26 09:59:07,946 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0206 | Val rms_score: 0.4799
278
+ 2025-09-26 09:59:17,596 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0201 | Val rms_score: 0.4769
279
+ 2025-09-26 09:59:27,500 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0194 | Val rms_score: 0.4799
280
+ 2025-09-26 09:59:37,415 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0195 | Val rms_score: 0.4710
281
+ 2025-09-26 09:59:47,111 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0178 | Val rms_score: 0.4794
282
+ 2025-09-26 09:59:57,386 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0194 | Val rms_score: 0.4795
283
+ 2025-09-26 10:00:06,897 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0191 | Val rms_score: 0.4757
284
+ 2025-09-26 10:00:15,973 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0170 | Val rms_score: 0.4768
285
+ 2025-09-26 10:00:25,269 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0198 | Val rms_score: 0.4778
286
+ 2025-09-26 10:00:34,394 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0178 | Val rms_score: 0.4794
287
+ 2025-09-26 10:00:44,032 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0184 | Val rms_score: 0.4822
288
+ 2025-09-26 10:00:52,827 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0176 | Val rms_score: 0.4762
289
+ 2025-09-26 10:01:02,283 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0177 | Val rms_score: 0.4816
290
+ 2025-09-26 10:01:11,438 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0163 | Val rms_score: 0.4750
291
+ 2025-09-26 10:01:20,466 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0162 | Val rms_score: 0.4780
292
+ 2025-09-26 10:01:30,196 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0153 | Val rms_score: 0.4800
293
+ 2025-09-26 10:01:38,960 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0178 | Val rms_score: 0.4800
294
+ 2025-09-26 10:01:48,516 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0160 | Val rms_score: 0.4778
295
+ 2025-09-26 10:01:57,629 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0158 | Val rms_score: 0.4784
296
+ 2025-09-26 10:02:06,977 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0157 | Val rms_score: 0.4761
297
+ 2025-09-26 10:02:16,702 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0161 | Val rms_score: 0.4795
298
+ 2025-09-26 10:02:25,679 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0165 | Val rms_score: 0.4750
299
+ 2025-09-26 10:02:36,520 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0143 | Val rms_score: 0.4738
300
+ 2025-09-26 10:02:45,315 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0151 | Val rms_score: 0.4756
301
+ 2025-09-26 10:02:54,436 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0166 | Val rms_score: 0.4752
302
+ 2025-09-26 10:03:04,079 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0165 | Val rms_score: 0.4782
303
+ 2025-09-26 10:03:13,032 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0155 | Val rms_score: 0.4776
304
+ 2025-09-26 10:03:22,199 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0110 | Val rms_score: 0.4744
305
+ 2025-09-26 10:03:31,651 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0156 | Val rms_score: 0.4791
306
+ 2025-09-26 10:03:40,801 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0155 | Val rms_score: 0.4722
307
+ 2025-09-26 10:03:50,565 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0138 | Val rms_score: 0.4734
308
+ 2025-09-26 10:03:59,707 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0152 | Val rms_score: 0.4781
309
+ 2025-09-26 10:04:08,616 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0144 | Val rms_score: 0.4753
310
+ 2025-09-26 10:04:17,898 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0150 | Val rms_score: 0.4725
311
+ 2025-09-26 10:04:27,065 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0137 | Val rms_score: 0.4712
312
+ 2025-09-26 10:04:36,846 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0146 | Val rms_score: 0.4763
313
+ 2025-09-26 10:04:45,563 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0132 | Val rms_score: 0.4794
314
+ 2025-09-26 10:04:54,764 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0146 | Val rms_score: 0.4799
315
+ 2025-09-26 10:05:03,930 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0158 | Val rms_score: 0.4755
316
+ 2025-09-26 10:05:04,815 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Test rms_score: 0.5207
317
+ 2025-09-26 10:05:05,185 - logs_modchembert_astrazeneca_cl_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.5022, Std Dev: 0.0136
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_logd74_epochs100_batch_size32_20250926_100505.log ADDED
@@ -0,0 +1,407 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 10:05:05,187 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Running benchmark for dataset: astrazeneca_logd74
2
+ 2025-09-26 10:05:05,187 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - dataset: astrazeneca_logd74, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 10:05:05,193 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset astrazeneca_logd74 at 2025-09-26_10-05-05
4
+ 2025-09-26 10:05:27,132 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.3375 | Val rms_score: 0.7430
5
+ 2025-09-26 10:05:27,132 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 105
6
+ 2025-09-26 10:05:27,738 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.7430
7
+ 2025-09-26 10:05:53,253 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.1547 | Val rms_score: 0.7041
8
+ 2025-09-26 10:05:53,428 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 210
9
+ 2025-09-26 10:05:53,960 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.7041
10
+ 2025-09-26 10:06:18,236 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.1318 | Val rms_score: 0.6968
11
+ 2025-09-26 10:06:18,417 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 315
12
+ 2025-09-26 10:06:18,947 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.6968
13
+ 2025-09-26 10:06:44,866 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1094 | Val rms_score: 0.7011
14
+ 2025-09-26 10:07:10,577 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.0869 | Val rms_score: 0.6958
15
+ 2025-09-26 10:07:10,732 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 525
16
+ 2025-09-26 10:07:11,407 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val rms_score: 0.6958
17
+ 2025-09-26 10:07:37,183 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0823 | Val rms_score: 0.7217
18
+ 2025-09-26 10:08:02,730 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0674 | Val rms_score: 0.6919
19
+ 2025-09-26 10:08:02,917 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 735
20
+ 2025-09-26 10:08:03,575 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val rms_score: 0.6919
21
+ 2025-09-26 10:08:27,499 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0609 | Val rms_score: 0.6989
22
+ 2025-09-26 10:08:53,307 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0545 | Val rms_score: 0.7057
23
+ 2025-09-26 10:09:20,760 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0497 | Val rms_score: 0.6837
24
+ 2025-09-26 10:09:20,920 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 1050
25
+ 2025-09-26 10:09:21,513 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 10 with val rms_score: 0.6837
26
+ 2025-09-26 10:09:46,497 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0486 | Val rms_score: 0.6897
27
+ 2025-09-26 10:10:11,329 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0427 | Val rms_score: 0.6978
28
+ 2025-09-26 10:10:36,937 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0394 | Val rms_score: 0.6956
29
+ 2025-09-26 10:11:02,673 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0375 | Val rms_score: 0.6808
30
+ 2025-09-26 10:11:02,832 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 1470
31
+ 2025-09-26 10:11:03,378 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 14 with val rms_score: 0.6808
32
+ 2025-09-26 10:11:28,123 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0333 | Val rms_score: 0.6840
33
+ 2025-09-26 10:11:53,960 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0312 | Val rms_score: 0.6902
34
+ 2025-09-26 10:12:19,774 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0312 | Val rms_score: 0.6871
35
+ 2025-09-26 10:12:45,420 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0285 | Val rms_score: 0.6797
36
+ 2025-09-26 10:12:45,575 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 1890
37
+ 2025-09-26 10:12:46,156 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 18 with val rms_score: 0.6797
38
+ 2025-09-26 10:13:11,734 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0276 | Val rms_score: 0.6858
39
+ 2025-09-26 10:13:37,474 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0269 | Val rms_score: 0.6844
40
+ 2025-09-26 10:14:02,903 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0264 | Val rms_score: 0.6823
41
+ 2025-09-26 10:14:28,695 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0307 | Val rms_score: 0.6854
42
+ 2025-09-26 10:14:54,293 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0262 | Val rms_score: 0.6801
43
+ 2025-09-26 10:15:20,001 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0250 | Val rms_score: 0.6840
44
+ 2025-09-26 10:15:45,548 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0269 | Val rms_score: 0.6848
45
+ 2025-09-26 10:16:11,183 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0245 | Val rms_score: 0.6821
46
+ 2025-09-26 10:16:36,994 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0222 | Val rms_score: 0.6821
47
+ 2025-09-26 10:17:01,401 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0208 | Val rms_score: 0.6842
48
+ 2025-09-26 10:17:29,609 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0203 | Val rms_score: 0.6782
49
+ 2025-09-26 10:17:29,788 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 3045
50
+ 2025-09-26 10:17:30,341 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 29 with val rms_score: 0.6782
51
+ 2025-09-26 10:17:54,910 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0214 | Val rms_score: 0.6852
52
+ 2025-09-26 10:18:21,015 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0216 | Val rms_score: 0.6773
53
+ 2025-09-26 10:18:21,502 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 3255
54
+ 2025-09-26 10:18:22,052 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 31 with val rms_score: 0.6773
55
+ 2025-09-26 10:18:47,268 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0204 | Val rms_score: 0.6832
56
+ 2025-09-26 10:19:12,652 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0195 | Val rms_score: 0.6789
57
+ 2025-09-26 10:19:38,493 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0192 | Val rms_score: 0.6752
58
+ 2025-09-26 10:19:38,686 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 3570
59
+ 2025-09-26 10:19:39,235 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 34 with val rms_score: 0.6752
60
+ 2025-09-26 10:20:03,840 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0193 | Val rms_score: 0.6763
61
+ 2025-09-26 10:20:28,494 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0181 | Val rms_score: 0.6748
62
+ 2025-09-26 10:20:28,974 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 3780
63
+ 2025-09-26 10:20:29,573 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 36 with val rms_score: 0.6748
64
+ 2025-09-26 10:20:55,270 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0186 | Val rms_score: 0.6782
65
+ 2025-09-26 10:21:20,832 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0175 | Val rms_score: 0.6792
66
+ 2025-09-26 10:21:46,236 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0183 | Val rms_score: 0.6778
67
+ 2025-09-26 10:22:11,960 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0177 | Val rms_score: 0.6807
68
+ 2025-09-26 10:22:37,845 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0148 | Val rms_score: 0.6776
69
+ 2025-09-26 10:23:03,314 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0193 | Val rms_score: 0.6694
70
+ 2025-09-26 10:23:03,472 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 4410
71
+ 2025-09-26 10:23:04,078 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 42 with val rms_score: 0.6694
72
+ 2025-09-26 10:23:28,767 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0176 | Val rms_score: 0.6810
73
+ 2025-09-26 10:23:54,473 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0158 | Val rms_score: 0.6800
74
+ 2025-09-26 10:24:20,278 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0161 | Val rms_score: 0.6752
75
+ 2025-09-26 10:24:46,049 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0159 | Val rms_score: 0.6769
76
+ 2025-09-26 10:25:11,479 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0161 | Val rms_score: 0.6791
77
+ 2025-09-26 10:25:38,836 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0149 | Val rms_score: 0.6777
78
+ 2025-09-26 10:26:03,547 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0148 | Val rms_score: 0.6724
79
+ 2025-09-26 10:26:29,164 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0152 | Val rms_score: 0.6874
80
+ 2025-09-26 10:26:54,700 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0158 | Val rms_score: 0.6747
81
+ 2025-09-26 10:27:20,562 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0149 | Val rms_score: 0.6788
82
+ 2025-09-26 10:27:46,412 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0147 | Val rms_score: 0.6743
83
+ 2025-09-26 10:28:11,099 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0145 | Val rms_score: 0.6692
84
+ 2025-09-26 10:28:11,257 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 5670
85
+ 2025-09-26 10:28:11,825 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 54 with val rms_score: 0.6692
86
+ 2025-09-26 10:28:37,690 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0142 | Val rms_score: 0.6720
87
+ 2025-09-26 10:29:03,177 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0141 | Val rms_score: 0.6731
88
+ 2025-09-26 10:29:28,722 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0140 | Val rms_score: 0.6794
89
+ 2025-09-26 10:29:54,087 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0134 | Val rms_score: 0.6748
90
+ 2025-09-26 10:30:19,630 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0140 | Val rms_score: 0.6718
91
+ 2025-09-26 10:30:45,529 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0143 | Val rms_score: 0.6715
92
+ 2025-09-26 10:31:11,266 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0147 | Val rms_score: 0.6743
93
+ 2025-09-26 10:31:36,544 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0126 | Val rms_score: 0.6731
94
+ 2025-09-26 10:32:01,950 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0143 | Val rms_score: 0.6718
95
+ 2025-09-26 10:32:27,979 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0129 | Val rms_score: 0.6788
96
+ 2025-09-26 10:32:54,131 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0126 | Val rms_score: 0.6766
97
+ 2025-09-26 10:33:19,877 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0137 | Val rms_score: 0.6740
98
+ 2025-09-26 10:33:46,478 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0130 | Val rms_score: 0.6704
99
+ 2025-09-26 10:34:10,687 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0120 | Val rms_score: 0.6761
100
+ 2025-09-26 10:34:36,388 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0135 | Val rms_score: 0.6702
101
+ 2025-09-26 10:35:00,928 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0119 | Val rms_score: 0.6701
102
+ 2025-09-26 10:35:25,175 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0132 | Val rms_score: 0.6752
103
+ 2025-09-26 10:35:51,037 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0134 | Val rms_score: 0.6705
104
+ 2025-09-26 10:36:15,550 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0132 | Val rms_score: 0.6725
105
+ 2025-09-26 10:36:41,175 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0137 | Val rms_score: 0.6732
106
+ 2025-09-26 10:37:07,158 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0121 | Val rms_score: 0.6732
107
+ 2025-09-26 10:37:32,783 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0122 | Val rms_score: 0.6683
108
+ 2025-09-26 10:37:33,325 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 7980
109
+ 2025-09-26 10:37:33,909 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 76 with val rms_score: 0.6683
110
+ 2025-09-26 10:38:00,004 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0129 | Val rms_score: 0.6723
111
+ 2025-09-26 10:38:25,495 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0124 | Val rms_score: 0.6754
112
+ 2025-09-26 10:38:51,195 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0123 | Val rms_score: 0.6683
113
+ 2025-09-26 10:39:15,570 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0126 | Val rms_score: 0.6708
114
+ 2025-09-26 10:39:41,245 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0127 | Val rms_score: 0.6730
115
+ 2025-09-26 10:40:06,603 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0119 | Val rms_score: 0.6708
116
+ 2025-09-26 10:40:32,216 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0135 | Val rms_score: 0.6749
117
+ 2025-09-26 10:40:58,032 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0112 | Val rms_score: 0.6723
118
+ 2025-09-26 10:41:24,127 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0123 | Val rms_score: 0.6726
119
+ 2025-09-26 10:41:51,181 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0121 | Val rms_score: 0.6778
120
+ 2025-09-26 10:42:15,647 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0109 | Val rms_score: 0.6671
121
+ 2025-09-26 10:42:15,805 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 9135
122
+ 2025-09-26 10:42:16,412 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 87 with val rms_score: 0.6671
123
+ 2025-09-26 10:42:41,052 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0120 | Val rms_score: 0.6712
124
+ 2025-09-26 10:43:06,785 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0122 | Val rms_score: 0.6670
125
+ 2025-09-26 10:43:06,947 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 9345
126
+ 2025-09-26 10:43:07,539 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 89 with val rms_score: 0.6670
127
+ 2025-09-26 10:43:33,160 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0118 | Val rms_score: 0.6695
128
+ 2025-09-26 10:43:58,693 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0110 | Val rms_score: 0.6724
129
+ 2025-09-26 10:44:24,368 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0115 | Val rms_score: 0.6649
130
+ 2025-09-26 10:44:24,549 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 9660
131
+ 2025-09-26 10:44:25,173 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 92 with val rms_score: 0.6649
132
+ 2025-09-26 10:44:51,073 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0121 | Val rms_score: 0.6659
133
+ 2025-09-26 10:45:15,711 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0114 | Val rms_score: 0.6658
134
+ 2025-09-26 10:45:41,569 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0118 | Val rms_score: 0.6690
135
+ 2025-09-26 10:46:07,945 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0115 | Val rms_score: 0.6690
136
+ 2025-09-26 10:46:33,747 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0115 | Val rms_score: 0.6654
137
+ 2025-09-26 10:46:58,261 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0107 | Val rms_score: 0.6707
138
+ 2025-09-26 10:47:23,877 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0110 | Val rms_score: 0.6697
139
+ 2025-09-26 10:47:49,631 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0109 | Val rms_score: 0.6683
140
+ 2025-09-26 10:47:51,274 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Test rms_score: 0.7439
141
+ 2025-09-26 10:47:51,711 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset astrazeneca_logd74 at 2025-09-26_10-47-51
142
+ 2025-09-26 10:48:15,914 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.2266 | Val rms_score: 0.7203
143
+ 2025-09-26 10:48:15,914 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 105
144
+ 2025-09-26 10:48:16,671 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.7203
145
+ 2025-09-26 10:48:43,356 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.1977 | Val rms_score: 0.7089
146
+ 2025-09-26 10:48:43,544 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 210
147
+ 2025-09-26 10:48:44,124 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.7089
148
+ 2025-09-26 10:49:08,724 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.1354 | Val rms_score: 0.6826
149
+ 2025-09-26 10:49:08,918 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 315
150
+ 2025-09-26 10:49:09,535 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.6826
151
+ 2025-09-26 10:49:34,252 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1109 | Val rms_score: 0.6945
152
+ 2025-09-26 10:49:59,894 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.0944 | Val rms_score: 0.6866
153
+ 2025-09-26 10:50:25,711 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0766 | Val rms_score: 0.6886
154
+ 2025-09-26 10:50:51,660 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0656 | Val rms_score: 0.6902
155
+ 2025-09-26 10:51:17,376 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0555 | Val rms_score: 0.6720
156
+ 2025-09-26 10:51:17,538 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 840
157
+ 2025-09-26 10:51:18,123 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val rms_score: 0.6720
158
+ 2025-09-26 10:51:44,220 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0563 | Val rms_score: 0.6650
159
+ 2025-09-26 10:51:44,378 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 945
160
+ 2025-09-26 10:51:45,066 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 9 with val rms_score: 0.6650
161
+ 2025-09-26 10:52:11,685 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0534 | Val rms_score: 0.6851
162
+ 2025-09-26 10:52:36,183 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0455 | Val rms_score: 0.6949
163
+ 2025-09-26 10:53:02,016 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0388 | Val rms_score: 0.6685
164
+ 2025-09-26 10:53:26,632 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0377 | Val rms_score: 0.6787
165
+ 2025-09-26 10:53:52,463 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0359 | Val rms_score: 0.6749
166
+ 2025-09-26 10:54:18,654 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0323 | Val rms_score: 0.6775
167
+ 2025-09-26 10:54:44,306 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0338 | Val rms_score: 0.6848
168
+ 2025-09-26 10:55:10,005 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0333 | Val rms_score: 0.6672
169
+ 2025-09-26 10:55:35,916 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0278 | Val rms_score: 0.6741
170
+ 2025-09-26 10:56:01,724 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0278 | Val rms_score: 0.6741
171
+ 2025-09-26 10:56:26,706 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0281 | Val rms_score: 0.6754
172
+ 2025-09-26 10:56:52,900 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0281 | Val rms_score: 0.6728
173
+ 2025-09-26 10:57:18,794 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0293 | Val rms_score: 0.6747
174
+ 2025-09-26 10:57:44,521 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0238 | Val rms_score: 0.6750
175
+ 2025-09-26 10:58:10,420 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0246 | Val rms_score: 0.6754
176
+ 2025-09-26 10:58:35,976 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0211 | Val rms_score: 0.6772
177
+ 2025-09-26 10:59:01,880 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0204 | Val rms_score: 0.6715
178
+ 2025-09-26 10:59:26,313 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0215 | Val rms_score: 0.6702
179
+ 2025-09-26 10:59:52,452 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0200 | Val rms_score: 0.6677
180
+ 2025-09-26 11:00:19,142 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0181 | Val rms_score: 0.6726
181
+ 2025-09-26 11:00:43,404 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0200 | Val rms_score: 0.6694
182
+ 2025-09-26 11:01:09,075 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0217 | Val rms_score: 0.6634
183
+ 2025-09-26 11:01:09,584 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 3255
184
+ 2025-09-26 11:01:10,226 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 31 with val rms_score: 0.6634
185
+ 2025-09-26 11:01:35,457 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0193 | Val rms_score: 0.6689
186
+ 2025-09-26 11:01:59,968 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0207 | Val rms_score: 0.6668
187
+ 2025-09-26 11:02:25,660 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0187 | Val rms_score: 0.6725
188
+ 2025-09-26 11:02:51,638 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0183 | Val rms_score: 0.6730
189
+ 2025-09-26 11:03:17,489 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0174 | Val rms_score: 0.6707
190
+ 2025-09-26 11:03:43,342 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0175 | Val rms_score: 0.6645
191
+ 2025-09-26 11:04:08,609 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0185 | Val rms_score: 0.6740
192
+ 2025-09-26 11:04:34,729 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0179 | Val rms_score: 0.6661
193
+ 2025-09-26 11:05:00,788 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0173 | Val rms_score: 0.6688
194
+ 2025-09-26 11:05:26,745 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0149 | Val rms_score: 0.6779
195
+ 2025-09-26 11:05:53,184 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0155 | Val rms_score: 0.6708
196
+ 2025-09-26 11:06:19,391 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0177 | Val rms_score: 0.6682
197
+ 2025-09-26 11:06:45,761 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0157 | Val rms_score: 0.6587
198
+ 2025-09-26 11:06:45,925 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 4620
199
+ 2025-09-26 11:06:46,487 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 44 with val rms_score: 0.6587
200
+ 2025-09-26 11:07:12,402 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0161 | Val rms_score: 0.6649
201
+ 2025-09-26 11:07:38,989 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0153 | Val rms_score: 0.6663
202
+ 2025-09-26 11:08:05,814 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0157 | Val rms_score: 0.6617
203
+ 2025-09-26 11:08:33,042 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0161 | Val rms_score: 0.6636
204
+ 2025-09-26 11:08:58,000 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0155 | Val rms_score: 0.6648
205
+ 2025-09-26 11:09:24,241 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0144 | Val rms_score: 0.6673
206
+ 2025-09-26 11:09:50,198 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0144 | Val rms_score: 0.6691
207
+ 2025-09-26 11:10:17,043 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0144 | Val rms_score: 0.6637
208
+ 2025-09-26 11:10:43,199 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0148 | Val rms_score: 0.6716
209
+ 2025-09-26 11:11:09,601 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0146 | Val rms_score: 0.6690
210
+ 2025-09-26 11:11:36,083 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0138 | Val rms_score: 0.6653
211
+ 2025-09-26 11:12:02,226 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0130 | Val rms_score: 0.6660
212
+ 2025-09-26 11:12:28,895 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0142 | Val rms_score: 0.6692
213
+ 2025-09-26 11:12:55,589 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0144 | Val rms_score: 0.6664
214
+ 2025-09-26 11:13:21,579 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0132 | Val rms_score: 0.6634
215
+ 2025-09-26 11:13:47,112 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0130 | Val rms_score: 0.6637
216
+ 2025-09-26 11:14:14,479 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0134 | Val rms_score: 0.6679
217
+ 2025-09-26 11:14:41,215 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0128 | Val rms_score: 0.6617
218
+ 2025-09-26 11:15:08,393 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0138 | Val rms_score: 0.6661
219
+ 2025-09-26 11:15:34,807 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0140 | Val rms_score: 0.6710
220
+ 2025-09-26 11:16:01,503 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0125 | Val rms_score: 0.6643
221
+ 2025-09-26 11:16:28,083 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0137 | Val rms_score: 0.6629
222
+ 2025-09-26 11:16:55,222 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0129 | Val rms_score: 0.6671
223
+ 2025-09-26 11:17:20,665 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0127 | Val rms_score: 0.6657
224
+ 2025-09-26 11:17:46,558 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0124 | Val rms_score: 0.6630
225
+ 2025-09-26 11:18:12,624 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0130 | Val rms_score: 0.6634
226
+ 2025-09-26 11:18:38,518 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0126 | Val rms_score: 0.6599
227
+ 2025-09-26 11:19:05,247 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0128 | Val rms_score: 0.6591
228
+ 2025-09-26 11:19:31,406 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0123 | Val rms_score: 0.6625
229
+ 2025-09-26 11:19:57,441 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0116 | Val rms_score: 0.6690
230
+ 2025-09-26 11:20:23,830 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0118 | Val rms_score: 0.6654
231
+ 2025-09-26 11:20:50,003 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0126 | Val rms_score: 0.6604
232
+ 2025-09-26 11:21:17,987 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0122 | Val rms_score: 0.6634
233
+ 2025-09-26 11:21:43,126 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0117 | Val rms_score: 0.6582
234
+ 2025-09-26 11:21:43,279 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 8190
235
+ 2025-09-26 11:21:43,902 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 78 with val rms_score: 0.6582
236
+ 2025-09-26 11:22:10,383 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0118 | Val rms_score: 0.6600
237
+ 2025-09-26 11:22:36,608 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0116 | Val rms_score: 0.6610
238
+ 2025-09-26 11:23:02,993 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0126 | Val rms_score: 0.6591
239
+ 2025-09-26 11:23:29,958 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0099 | Val rms_score: 0.6627
240
+ 2025-09-26 11:23:56,306 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0119 | Val rms_score: 0.6632
241
+ 2025-09-26 11:24:22,616 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0128 | Val rms_score: 0.6641
242
+ 2025-09-26 11:24:48,848 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0112 | Val rms_score: 0.6673
243
+ 2025-09-26 11:25:16,439 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0118 | Val rms_score: 0.6609
244
+ 2025-09-26 11:25:42,575 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0116 | Val rms_score: 0.6606
245
+ 2025-09-26 11:26:08,896 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0123 | Val rms_score: 0.6610
246
+ 2025-09-26 11:26:35,331 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0111 | Val rms_score: 0.6600
247
+ 2025-09-26 11:27:01,598 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0111 | Val rms_score: 0.6616
248
+ 2025-09-26 11:27:27,873 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0112 | Val rms_score: 0.6592
249
+ 2025-09-26 11:27:54,878 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0115 | Val rms_score: 0.6657
250
+ 2025-09-26 11:28:21,205 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0106 | Val rms_score: 0.6615
251
+ 2025-09-26 11:28:47,546 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0112 | Val rms_score: 0.6624
252
+ 2025-09-26 11:29:13,796 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0106 | Val rms_score: 0.6582
253
+ 2025-09-26 11:29:13,961 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 9975
254
+ 2025-09-26 11:29:14,519 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 95 with val rms_score: 0.6582
255
+ 2025-09-26 11:29:41,961 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0115 | Val rms_score: 0.6565
256
+ 2025-09-26 11:29:42,517 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 10080
257
+ 2025-09-26 11:29:43,114 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 96 with val rms_score: 0.6565
258
+ 2025-09-26 11:30:07,796 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0107 | Val rms_score: 0.6613
259
+ 2025-09-26 11:30:34,348 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0110 | Val rms_score: 0.6561
260
+ 2025-09-26 11:30:34,514 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 10290
261
+ 2025-09-26 11:30:35,116 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 98 with val rms_score: 0.6561
262
+ 2025-09-26 11:31:02,019 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0113 | Val rms_score: 0.6598
263
+ 2025-09-26 11:31:28,820 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0109 | Val rms_score: 0.6524
264
+ 2025-09-26 11:31:28,986 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 10500
265
+ 2025-09-26 11:31:29,527 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 100 with val rms_score: 0.6524
266
+ 2025-09-26 11:31:31,129 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Test rms_score: 0.7436
267
+ 2025-09-26 11:31:31,578 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset astrazeneca_logd74 at 2025-09-26_11-31-31
268
+ 2025-09-26 11:31:55,496 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.2219 | Val rms_score: 0.7374
269
+ 2025-09-26 11:31:55,497 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 105
270
+ 2025-09-26 11:31:56,103 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.7374
271
+ 2025-09-26 11:32:23,724 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.1789 | Val rms_score: 0.7275
272
+ 2025-09-26 11:32:23,902 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 210
273
+ 2025-09-26 11:32:24,539 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.7275
274
+ 2025-09-26 11:32:50,560 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.1203 | Val rms_score: 0.6953
275
+ 2025-09-26 11:32:50,752 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 315
276
+ 2025-09-26 11:32:51,322 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.6953
277
+ 2025-09-26 11:33:17,395 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.1117 | Val rms_score: 0.7053
278
+ 2025-09-26 11:33:43,616 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.0931 | Val rms_score: 0.7051
279
+ 2025-09-26 11:34:09,598 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.0776 | Val rms_score: 0.6957
280
+ 2025-09-26 11:34:36,000 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.0674 | Val rms_score: 0.6996
281
+ 2025-09-26 11:35:02,218 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.0613 | Val rms_score: 0.6896
282
+ 2025-09-26 11:35:02,375 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 840
283
+ 2025-09-26 11:35:02,969 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val rms_score: 0.6896
284
+ 2025-09-26 11:35:28,214 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.0542 | Val rms_score: 0.6812
285
+ 2025-09-26 11:35:28,404 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 945
286
+ 2025-09-26 11:35:29,018 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 9 with val rms_score: 0.6812
287
+ 2025-09-26 11:35:56,070 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0469 | Val rms_score: 0.6856
288
+ 2025-09-26 11:36:20,596 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0509 | Val rms_score: 0.6738
289
+ 2025-09-26 11:36:21,161 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 1155
290
+ 2025-09-26 11:36:21,760 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 11 with val rms_score: 0.6738
291
+ 2025-09-26 11:36:46,055 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0453 | Val rms_score: 0.6764
292
+ 2025-09-26 11:37:11,717 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0406 | Val rms_score: 0.6777
293
+ 2025-09-26 11:37:36,579 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0362 | Val rms_score: 0.6874
294
+ 2025-09-26 11:38:02,569 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0342 | Val rms_score: 0.6708
295
+ 2025-09-26 11:38:02,733 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 1575
296
+ 2025-09-26 11:38:03,298 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 15 with val rms_score: 0.6708
297
+ 2025-09-26 11:38:28,751 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0330 | Val rms_score: 0.6718
298
+ 2025-09-26 11:38:54,602 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0305 | Val rms_score: 0.6744
299
+ 2025-09-26 11:39:20,573 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0316 | Val rms_score: 0.6712
300
+ 2025-09-26 11:39:46,399 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0294 | Val rms_score: 0.6779
301
+ 2025-09-26 11:40:11,810 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0277 | Val rms_score: 0.6685
302
+ 2025-09-26 11:40:11,965 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 2100
303
+ 2025-09-26 11:40:12,537 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 20 with val rms_score: 0.6685
304
+ 2025-09-26 11:40:38,423 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0225 | Val rms_score: 0.6792
305
+ 2025-09-26 11:41:04,210 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0236 | Val rms_score: 0.6754
306
+ 2025-09-26 11:41:29,945 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0237 | Val rms_score: 0.6787
307
+ 2025-09-26 11:41:55,718 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0241 | Val rms_score: 0.6781
308
+ 2025-09-26 11:42:21,544 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0247 | Val rms_score: 0.6762
309
+ 2025-09-26 11:42:47,198 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0240 | Val rms_score: 0.6667
310
+ 2025-09-26 11:42:47,717 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 2730
311
+ 2025-09-26 11:42:48,277 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 26 with val rms_score: 0.6667
312
+ 2025-09-26 11:43:12,533 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0227 | Val rms_score: 0.6686
313
+ 2025-09-26 11:43:38,665 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0218 | Val rms_score: 0.6733
314
+ 2025-09-26 11:44:05,405 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0220 | Val rms_score: 0.6703
315
+ 2025-09-26 11:44:29,800 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0217 | Val rms_score: 0.6724
316
+ 2025-09-26 11:44:55,671 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0206 | Val rms_score: 0.6791
317
+ 2025-09-26 11:45:21,504 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0193 | Val rms_score: 0.6653
318
+ 2025-09-26 11:45:21,663 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 3360
319
+ 2025-09-26 11:45:22,250 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 32 with val rms_score: 0.6653
320
+ 2025-09-26 11:45:48,065 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0196 | Val rms_score: 0.6727
321
+ 2025-09-26 11:46:13,962 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0194 | Val rms_score: 0.6666
322
+ 2025-09-26 11:46:38,390 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0195 | Val rms_score: 0.6701
323
+ 2025-09-26 11:47:04,083 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0179 | Val rms_score: 0.6724
324
+ 2025-09-26 11:47:29,559 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0183 | Val rms_score: 0.6765
325
+ 2025-09-26 11:47:55,446 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0178 | Val rms_score: 0.6650
326
+ 2025-09-26 11:47:55,605 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 3990
327
+ 2025-09-26 11:47:56,216 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 38 with val rms_score: 0.6650
328
+ 2025-09-26 11:48:20,607 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0178 | Val rms_score: 0.6701
329
+ 2025-09-26 11:48:46,490 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0166 | Val rms_score: 0.6668
330
+ 2025-09-26 11:49:12,434 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0209 | Val rms_score: 0.6674
331
+ 2025-09-26 11:49:37,808 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0162 | Val rms_score: 0.6661
332
+ 2025-09-26 11:50:03,809 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0145 | Val rms_score: 0.6691
333
+ 2025-09-26 11:50:29,685 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0164 | Val rms_score: 0.6632
334
+ 2025-09-26 11:50:29,872 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 4620
335
+ 2025-09-26 11:50:30,586 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 44 with val rms_score: 0.6632
336
+ 2025-09-26 11:50:55,258 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0161 | Val rms_score: 0.6644
337
+ 2025-09-26 11:51:21,065 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0135 | Val rms_score: 0.6708
338
+ 2025-09-26 11:51:46,868 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0146 | Val rms_score: 0.6723
339
+ 2025-09-26 11:52:14,819 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0160 | Val rms_score: 0.6673
340
+ 2025-09-26 11:52:39,244 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0167 | Val rms_score: 0.6656
341
+ 2025-09-26 11:53:04,890 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0158 | Val rms_score: 0.6697
342
+ 2025-09-26 11:53:30,686 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0155 | Val rms_score: 0.6643
343
+ 2025-09-26 11:53:56,465 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0138 | Val rms_score: 0.6735
344
+ 2025-09-26 11:54:22,244 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0145 | Val rms_score: 0.6643
345
+ 2025-09-26 11:54:47,997 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0146 | Val rms_score: 0.6703
346
+ 2025-09-26 11:55:13,708 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0136 | Val rms_score: 0.6648
347
+ 2025-09-26 11:55:39,516 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0146 | Val rms_score: 0.6615
348
+ 2025-09-26 11:55:40,190 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 5880
349
+ 2025-09-26 11:55:40,765 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 56 with val rms_score: 0.6615
350
+ 2025-09-26 11:56:05,033 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0146 | Val rms_score: 0.6671
351
+ 2025-09-26 11:56:30,351 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0138 | Val rms_score: 0.6603
352
+ 2025-09-26 11:56:30,581 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 6090
353
+ 2025-09-26 11:56:31,454 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 58 with val rms_score: 0.6603
354
+ 2025-09-26 11:56:56,381 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0136 | Val rms_score: 0.6673
355
+ 2025-09-26 11:57:22,378 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0136 | Val rms_score: 0.6602
356
+ 2025-09-26 11:57:22,534 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 6300
357
+ 2025-09-26 11:57:23,118 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 60 with val rms_score: 0.6602
358
+ 2025-09-26 11:57:48,042 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0150 | Val rms_score: 0.6639
359
+ 2025-09-26 11:58:13,819 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0142 | Val rms_score: 0.6614
360
+ 2025-09-26 11:58:39,752 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0141 | Val rms_score: 0.6680
361
+ 2025-09-26 11:59:05,716 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0137 | Val rms_score: 0.6647
362
+ 2025-09-26 11:59:31,664 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0144 | Val rms_score: 0.6601
363
+ 2025-09-26 11:59:31,821 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 6825
364
+ 2025-09-26 11:59:32,384 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 65 with val rms_score: 0.6601
365
+ 2025-09-26 11:59:58,550 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0120 | Val rms_score: 0.6602
366
+ 2025-09-26 12:00:25,770 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0130 | Val rms_score: 0.6634
367
+ 2025-09-26 12:00:50,273 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0129 | Val rms_score: 0.6649
368
+ 2025-09-26 12:01:15,970 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0128 | Val rms_score: 0.6655
369
+ 2025-09-26 12:01:41,884 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0133 | Val rms_score: 0.6635
370
+ 2025-09-26 12:02:07,687 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0128 | Val rms_score: 0.6667
371
+ 2025-09-26 12:02:33,308 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0132 | Val rms_score: 0.6620
372
+ 2025-09-26 12:02:58,905 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0129 | Val rms_score: 0.6646
373
+ 2025-09-26 12:03:24,785 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0126 | Val rms_score: 0.6590
374
+ 2025-09-26 12:03:24,946 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 7770
375
+ 2025-09-26 12:03:25,556 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 74 with val rms_score: 0.6590
376
+ 2025-09-26 12:03:51,704 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0123 | Val rms_score: 0.6573
377
+ 2025-09-26 12:03:51,906 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 7875
378
+ 2025-09-26 12:03:52,488 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 75 with val rms_score: 0.6573
379
+ 2025-09-26 12:04:18,407 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0126 | Val rms_score: 0.6610
380
+ 2025-09-26 12:04:44,418 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0129 | Val rms_score: 0.6629
381
+ 2025-09-26 12:05:09,772 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0120 | Val rms_score: 0.6622
382
+ 2025-09-26 12:05:35,374 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0126 | Val rms_score: 0.6609
383
+ 2025-09-26 12:06:01,266 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0119 | Val rms_score: 0.6592
384
+ 2025-09-26 12:06:26,913 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0123 | Val rms_score: 0.6622
385
+ 2025-09-26 12:06:50,989 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0118 | Val rms_score: 0.6597
386
+ 2025-09-26 12:07:16,633 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0139 | Val rms_score: 0.6630
387
+ 2025-09-26 12:07:42,127 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0114 | Val rms_score: 0.6594
388
+ 2025-09-26 12:08:08,117 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0126 | Val rms_score: 0.6630
389
+ 2025-09-26 12:08:35,315 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0128 | Val rms_score: 0.6598
390
+ 2025-09-26 12:08:59,814 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0119 | Val rms_score: 0.6664
391
+ 2025-09-26 12:09:25,509 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0119 | Val rms_score: 0.6681
392
+ 2025-09-26 12:09:51,443 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0110 | Val rms_score: 0.6636
393
+ 2025-09-26 12:10:17,457 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0114 | Val rms_score: 0.6629
394
+ 2025-09-26 12:10:43,237 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0109 | Val rms_score: 0.6608
395
+ 2025-09-26 12:11:08,885 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0118 | Val rms_score: 0.6600
396
+ 2025-09-26 12:11:34,619 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0116 | Val rms_score: 0.6591
397
+ 2025-09-26 12:11:59,321 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0114 | Val rms_score: 0.6613
398
+ 2025-09-26 12:12:24,918 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0111 | Val rms_score: 0.6584
399
+ 2025-09-26 12:12:50,483 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0110 | Val rms_score: 0.6576
400
+ 2025-09-26 12:13:16,061 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0112 | Val rms_score: 0.6566
401
+ 2025-09-26 12:13:16,240 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Global step of best model: 10185
402
+ 2025-09-26 12:13:16,833 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Best model saved at epoch 97 with val rms_score: 0.6566
403
+ 2025-09-26 12:13:42,773 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0116 | Val rms_score: 0.6584
404
+ 2025-09-26 12:14:08,339 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0113 | Val rms_score: 0.6616
405
+ 2025-09-26 12:14:33,920 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0109 | Val rms_score: 0.6644
406
+ 2025-09-26 12:14:35,545 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Test rms_score: 0.7525
407
+ 2025-09-26 12:14:36,104 - logs_modchembert_astrazeneca_logd74_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.7467, Std Dev: 0.0041
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_ppb_epochs100_batch_size32_20250926_121436.log ADDED
@@ -0,0 +1,327 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 12:14:36,106 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Running benchmark for dataset: astrazeneca_ppb
2
+ 2025-09-26 12:14:36,106 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - dataset: astrazeneca_ppb, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 12:14:36,113 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset astrazeneca_ppb at 2025-09-26_12-14-36
4
+ 2025-09-26 12:14:46,721 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6861 | Val rms_score: 0.1084
5
+ 2025-09-26 12:14:46,721 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 45
6
+ 2025-09-26 12:14:47,311 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.1084
7
+ 2025-09-26 12:15:00,333 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.3972 | Val rms_score: 0.1073
8
+ 2025-09-26 12:15:00,534 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 90
9
+ 2025-09-26 12:15:01,128 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.1073
10
+ 2025-09-26 12:15:12,747 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2375 | Val rms_score: 0.1065
11
+ 2025-09-26 12:15:12,911 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 135
12
+ 2025-09-26 12:15:13,499 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.1065
13
+ 2025-09-26 12:15:24,132 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2125 | Val rms_score: 0.1086
14
+ 2025-09-26 12:15:35,881 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1787 | Val rms_score: 0.1185
15
+ 2025-09-26 12:15:47,547 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1750 | Val rms_score: 0.1050
16
+ 2025-09-26 12:15:48,133 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 270
17
+ 2025-09-26 12:15:48,757 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 6 with val rms_score: 0.1050
18
+ 2025-09-26 12:15:59,992 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1583 | Val rms_score: 0.1067
19
+ 2025-09-26 12:16:11,405 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1250 | Val rms_score: 0.1096
20
+ 2025-09-26 12:16:22,649 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1500 | Val rms_score: 0.1073
21
+ 2025-09-26 12:16:34,013 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0958 | Val rms_score: 0.1071
22
+ 2025-09-26 12:16:45,705 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0882 | Val rms_score: 0.1103
23
+ 2025-09-26 12:16:57,058 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0941 | Val rms_score: 0.1091
24
+ 2025-09-26 12:17:08,530 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0889 | Val rms_score: 0.1090
25
+ 2025-09-26 12:17:20,052 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0755 | Val rms_score: 0.1093
26
+ 2025-09-26 12:17:31,662 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0708 | Val rms_score: 0.1071
27
+ 2025-09-26 12:17:43,209 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0719 | Val rms_score: 0.1091
28
+ 2025-09-26 12:17:54,596 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0590 | Val rms_score: 0.1084
29
+ 2025-09-26 12:18:06,231 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0660 | Val rms_score: 0.1092
30
+ 2025-09-26 12:18:17,493 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0507 | Val rms_score: 0.1092
31
+ 2025-09-26 12:18:28,907 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0476 | Val rms_score: 0.1097
32
+ 2025-09-26 12:18:40,401 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0472 | Val rms_score: 0.1095
33
+ 2025-09-26 12:18:51,892 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0472 | Val rms_score: 0.1096
34
+ 2025-09-26 12:19:04,384 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0455 | Val rms_score: 0.1097
35
+ 2025-09-26 12:19:16,069 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0458 | Val rms_score: 0.1097
36
+ 2025-09-26 12:19:27,986 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0422 | Val rms_score: 0.1100
37
+ 2025-09-26 12:19:39,412 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0420 | Val rms_score: 0.1119
38
+ 2025-09-26 12:19:50,914 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0370 | Val rms_score: 0.1092
39
+ 2025-09-26 12:20:02,596 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0352 | Val rms_score: 0.1088
40
+ 2025-09-26 12:20:14,146 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0320 | Val rms_score: 0.1099
41
+ 2025-09-26 12:20:25,820 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0342 | Val rms_score: 0.1105
42
+ 2025-09-26 12:20:37,397 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0385 | Val rms_score: 0.1108
43
+ 2025-09-26 12:20:48,896 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0354 | Val rms_score: 0.1098
44
+ 2025-09-26 12:21:00,415 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0306 | Val rms_score: 0.1083
45
+ 2025-09-26 12:21:12,124 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0294 | Val rms_score: 0.1107
46
+ 2025-09-26 12:21:23,728 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0280 | Val rms_score: 0.1103
47
+ 2025-09-26 12:21:35,195 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0320 | Val rms_score: 0.1095
48
+ 2025-09-26 12:21:46,696 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0260 | Val rms_score: 0.1101
49
+ 2025-09-26 12:21:58,091 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0260 | Val rms_score: 0.1097
50
+ 2025-09-26 12:22:09,789 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0255 | Val rms_score: 0.1091
51
+ 2025-09-26 12:22:21,389 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0259 | Val rms_score: 0.1102
52
+ 2025-09-26 12:22:32,895 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0250 | Val rms_score: 0.1097
53
+ 2025-09-26 12:22:44,332 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0234 | Val rms_score: 0.1102
54
+ 2025-09-26 12:22:55,884 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0242 | Val rms_score: 0.1101
55
+ 2025-09-26 12:23:07,553 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0236 | Val rms_score: 0.1091
56
+ 2025-09-26 12:23:20,692 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0199 | Val rms_score: 0.1089
57
+ 2025-09-26 12:23:32,141 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0238 | Val rms_score: 0.1103
58
+ 2025-09-26 12:23:43,776 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0258 | Val rms_score: 0.1107
59
+ 2025-09-26 12:23:55,379 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0204 | Val rms_score: 0.1112
60
+ 2025-09-26 12:24:06,954 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0262 | Val rms_score: 0.1111
61
+ 2025-09-26 12:24:18,630 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0212 | Val rms_score: 0.1101
62
+ 2025-09-26 12:24:30,126 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0220 | Val rms_score: 0.1109
63
+ 2025-09-26 12:24:41,727 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0222 | Val rms_score: 0.1103
64
+ 2025-09-26 12:24:53,427 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0229 | Val rms_score: 0.1094
65
+ 2025-09-26 12:25:05,113 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0224 | Val rms_score: 0.1107
66
+ 2025-09-26 12:25:16,494 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0213 | Val rms_score: 0.1125
67
+ 2025-09-26 12:25:28,239 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0201 | Val rms_score: 0.1093
68
+ 2025-09-26 12:25:39,290 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0181 | Val rms_score: 0.1106
69
+ 2025-09-26 12:25:50,994 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0155 | Val rms_score: 0.1093
70
+ 2025-09-26 12:26:02,442 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0174 | Val rms_score: 0.1108
71
+ 2025-09-26 12:26:13,983 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0206 | Val rms_score: 0.1090
72
+ 2025-09-26 12:26:25,416 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0192 | Val rms_score: 0.1093
73
+ 2025-09-26 12:26:36,993 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0181 | Val rms_score: 0.1109
74
+ 2025-09-26 12:26:48,633 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0205 | Val rms_score: 0.1104
75
+ 2025-09-26 12:27:00,338 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0196 | Val rms_score: 0.1109
76
+ 2025-09-26 12:27:12,006 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0158 | Val rms_score: 0.1118
77
+ 2025-09-26 12:27:23,625 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0181 | Val rms_score: 0.1113
78
+ 2025-09-26 12:27:37,233 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0182 | Val rms_score: 0.1105
79
+ 2025-09-26 12:27:47,665 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0154 | Val rms_score: 0.1097
80
+ 2025-09-26 12:27:59,168 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0155 | Val rms_score: 0.1110
81
+ 2025-09-26 12:28:10,840 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0167 | Val rms_score: 0.1103
82
+ 2025-09-26 12:28:22,342 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0171 | Val rms_score: 0.1092
83
+ 2025-09-26 12:28:33,827 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0169 | Val rms_score: 0.1107
84
+ 2025-09-26 12:28:45,294 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0155 | Val rms_score: 0.1095
85
+ 2025-09-26 12:28:56,962 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0165 | Val rms_score: 0.1103
86
+ 2025-09-26 12:29:08,414 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0156 | Val rms_score: 0.1095
87
+ 2025-09-26 12:29:19,810 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0160 | Val rms_score: 0.1103
88
+ 2025-09-26 12:29:31,370 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0156 | Val rms_score: 0.1121
89
+ 2025-09-26 12:29:42,886 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0221 | Val rms_score: 0.1103
90
+ 2025-09-26 12:29:54,296 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0160 | Val rms_score: 0.1105
91
+ 2025-09-26 12:30:05,617 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0148 | Val rms_score: 0.1109
92
+ 2025-09-26 12:30:17,105 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0154 | Val rms_score: 0.1103
93
+ 2025-09-26 12:30:28,541 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0140 | Val rms_score: 0.1118
94
+ 2025-09-26 12:30:40,002 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0155 | Val rms_score: 0.1094
95
+ 2025-09-26 12:30:51,509 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0157 | Val rms_score: 0.1088
96
+ 2025-09-26 12:31:03,116 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0123 | Val rms_score: 0.1103
97
+ 2025-09-26 12:31:14,944 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0137 | Val rms_score: 0.1101
98
+ 2025-09-26 12:31:26,252 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0136 | Val rms_score: 0.1100
99
+ 2025-09-26 12:31:37,145 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0148 | Val rms_score: 0.1095
100
+ 2025-09-26 12:31:51,201 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0180 | Val rms_score: 0.1094
101
+ 2025-09-26 12:32:02,021 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0121 | Val rms_score: 0.1096
102
+ 2025-09-26 12:32:14,729 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0134 | Val rms_score: 0.1108
103
+ 2025-09-26 12:32:27,437 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0125 | Val rms_score: 0.1105
104
+ 2025-09-26 12:32:40,497 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0120 | Val rms_score: 0.1108
105
+ 2025-09-26 12:32:53,234 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0130 | Val rms_score: 0.1109
106
+ 2025-09-26 12:33:05,945 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0133 | Val rms_score: 0.1106
107
+ 2025-09-26 12:33:18,891 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0125 | Val rms_score: 0.1108
108
+ 2025-09-26 12:33:31,392 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0123 | Val rms_score: 0.1106
109
+ 2025-09-26 12:33:43,724 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0119 | Val rms_score: 0.1097
110
+ 2025-09-26 12:33:56,042 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0138 | Val rms_score: 0.1100
111
+ 2025-09-26 12:34:08,586 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0142 | Val rms_score: 0.1102
112
+ 2025-09-26 12:34:09,610 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Test rms_score: 0.1195
113
+ 2025-09-26 12:34:10,008 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset astrazeneca_ppb at 2025-09-26_12-34-10
114
+ 2025-09-26 12:34:20,310 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6611 | Val rms_score: 0.1087
115
+ 2025-09-26 12:34:20,310 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 45
116
+ 2025-09-26 12:34:20,882 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.1087
117
+ 2025-09-26 12:34:32,974 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4056 | Val rms_score: 0.1030
118
+ 2025-09-26 12:34:33,153 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 90
119
+ 2025-09-26 12:34:33,788 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.1030
120
+ 2025-09-26 12:34:44,655 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.2696 | Val rms_score: 0.1047
121
+ 2025-09-26 12:34:56,384 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2083 | Val rms_score: 0.1071
122
+ 2025-09-26 12:35:09,272 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1300 | Val rms_score: 0.1055
123
+ 2025-09-26 12:35:22,334 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1437 | Val rms_score: 0.1137
124
+ 2025-09-26 12:35:35,384 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1328 | Val rms_score: 0.1075
125
+ 2025-09-26 12:35:48,257 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1285 | Val rms_score: 0.1049
126
+ 2025-09-26 12:36:01,087 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1047 | Val rms_score: 0.1106
127
+ 2025-09-26 12:36:14,043 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.0924 | Val rms_score: 0.1091
128
+ 2025-09-26 12:36:26,963 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0878 | Val rms_score: 0.1074
129
+ 2025-09-26 12:36:39,953 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0945 | Val rms_score: 0.1125
130
+ 2025-09-26 12:36:52,547 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0833 | Val rms_score: 0.1101
131
+ 2025-09-26 12:37:05,397 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0859 | Val rms_score: 0.1122
132
+ 2025-09-26 12:37:18,384 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0715 | Val rms_score: 0.1113
133
+ 2025-09-26 12:37:31,059 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0770 | Val rms_score: 0.1083
134
+ 2025-09-26 12:37:43,659 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0542 | Val rms_score: 0.1088
135
+ 2025-09-26 12:37:56,872 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0559 | Val rms_score: 0.1089
136
+ 2025-09-26 12:38:09,779 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0517 | Val rms_score: 0.1090
137
+ 2025-09-26 12:38:22,581 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0503 | Val rms_score: 0.1098
138
+ 2025-09-26 12:38:35,547 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0455 | Val rms_score: 0.1090
139
+ 2025-09-26 12:38:48,570 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0382 | Val rms_score: 0.1093
140
+ 2025-09-26 12:39:01,558 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0386 | Val rms_score: 0.1084
141
+ 2025-09-26 12:39:13,477 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0375 | Val rms_score: 0.1088
142
+ 2025-09-26 12:39:26,445 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0356 | Val rms_score: 0.1090
143
+ 2025-09-26 12:39:39,423 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0385 | Val rms_score: 0.1091
144
+ 2025-09-26 12:39:52,019 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0365 | Val rms_score: 0.1087
145
+ 2025-09-26 12:40:05,030 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0413 | Val rms_score: 0.1098
146
+ 2025-09-26 12:40:18,192 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0359 | Val rms_score: 0.1092
147
+ 2025-09-26 12:40:31,187 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0408 | Val rms_score: 0.1091
148
+ 2025-09-26 12:40:44,169 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0339 | Val rms_score: 0.1081
149
+ 2025-09-26 12:40:57,884 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0326 | Val rms_score: 0.1078
150
+ 2025-09-26 12:41:11,255 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0311 | Val rms_score: 0.1081
151
+ 2025-09-26 12:41:24,497 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0299 | Val rms_score: 0.1085
152
+ 2025-09-26 12:41:37,434 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0288 | Val rms_score: 0.1080
153
+ 2025-09-26 12:41:50,629 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0322 | Val rms_score: 0.1098
154
+ 2025-09-26 12:42:03,961 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0241 | Val rms_score: 0.1081
155
+ 2025-09-26 12:42:17,432 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0230 | Val rms_score: 0.1088
156
+ 2025-09-26 12:42:30,715 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0266 | Val rms_score: 0.1092
157
+ 2025-09-26 12:42:44,034 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0255 | Val rms_score: 0.1090
158
+ 2025-09-26 12:42:57,016 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0243 | Val rms_score: 0.1090
159
+ 2025-09-26 12:43:09,760 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0245 | Val rms_score: 0.1097
160
+ 2025-09-26 12:43:22,796 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0232 | Val rms_score: 0.1099
161
+ 2025-09-26 12:43:35,857 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0241 | Val rms_score: 0.1103
162
+ 2025-09-26 12:43:48,732 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0275 | Val rms_score: 0.1089
163
+ 2025-09-26 12:43:59,814 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0253 | Val rms_score: 0.1095
164
+ 2025-09-26 12:44:12,556 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0297 | Val rms_score: 0.1088
165
+ 2025-09-26 12:44:25,691 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0259 | Val rms_score: 0.1104
166
+ 2025-09-26 12:44:39,122 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0215 | Val rms_score: 0.1100
167
+ 2025-09-26 12:44:52,117 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0233 | Val rms_score: 0.1088
168
+ 2025-09-26 12:45:05,105 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0207 | Val rms_score: 0.1099
169
+ 2025-09-26 12:45:17,627 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0183 | Val rms_score: 0.1080
170
+ 2025-09-26 12:45:30,348 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0189 | Val rms_score: 0.1098
171
+ 2025-09-26 12:45:43,080 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0219 | Val rms_score: 0.1121
172
+ 2025-09-26 12:45:55,911 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0208 | Val rms_score: 0.1091
173
+ 2025-09-26 12:46:08,699 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0224 | Val rms_score: 0.1079
174
+ 2025-09-26 12:46:21,397 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0221 | Val rms_score: 0.1106
175
+ 2025-09-26 12:46:34,384 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0241 | Val rms_score: 0.1096
176
+ 2025-09-26 12:46:47,657 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0207 | Val rms_score: 0.1092
177
+ 2025-09-26 12:47:00,618 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0194 | Val rms_score: 0.1088
178
+ 2025-09-26 12:47:13,689 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0216 | Val rms_score: 0.1112
179
+ 2025-09-26 12:47:26,539 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0224 | Val rms_score: 0.1094
180
+ 2025-09-26 12:47:39,784 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0206 | Val rms_score: 0.1094
181
+ 2025-09-26 12:47:52,782 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0179 | Val rms_score: 0.1088
182
+ 2025-09-26 12:48:05,657 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0163 | Val rms_score: 0.1094
183
+ 2025-09-26 12:48:18,336 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0167 | Val rms_score: 0.1099
184
+ 2025-09-26 12:48:31,452 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0217 | Val rms_score: 0.1088
185
+ 2025-09-26 12:48:42,775 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0186 | Val rms_score: 0.1078
186
+ 2025-09-26 12:48:55,487 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0354 | Val rms_score: 0.1079
187
+ 2025-09-26 12:49:08,139 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0183 | Val rms_score: 0.1091
188
+ 2025-09-26 12:49:20,816 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0159 | Val rms_score: 0.1093
189
+ 2025-09-26 12:49:33,500 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0154 | Val rms_score: 0.1094
190
+ 2025-09-26 12:49:46,671 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0154 | Val rms_score: 0.1100
191
+ 2025-09-26 12:49:59,551 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0171 | Val rms_score: 0.1107
192
+ 2025-09-26 12:50:12,201 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0179 | Val rms_score: 0.1104
193
+ 2025-09-26 12:50:24,740 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0141 | Val rms_score: 0.1092
194
+ 2025-09-26 12:50:37,068 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0155 | Val rms_score: 0.1098
195
+ 2025-09-26 12:50:49,975 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0155 | Val rms_score: 0.1094
196
+ 2025-09-26 12:51:02,799 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0155 | Val rms_score: 0.1090
197
+ 2025-09-26 12:51:15,305 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0146 | Val rms_score: 0.1096
198
+ 2025-09-26 12:51:27,517 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0132 | Val rms_score: 0.1094
199
+ 2025-09-26 12:51:40,012 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0146 | Val rms_score: 0.1095
200
+ 2025-09-26 12:51:52,213 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0128 | Val rms_score: 0.1083
201
+ 2025-09-26 12:52:04,572 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0136 | Val rms_score: 0.1099
202
+ 2025-09-26 12:52:16,927 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0148 | Val rms_score: 0.1103
203
+ 2025-09-26 12:52:29,086 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0174 | Val rms_score: 0.1108
204
+ 2025-09-26 12:52:40,975 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0149 | Val rms_score: 0.1084
205
+ 2025-09-26 12:52:53,046 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0131 | Val rms_score: 0.1095
206
+ 2025-09-26 12:53:06,708 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0154 | Val rms_score: 0.1096
207
+ 2025-09-26 12:53:17,394 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0129 | Val rms_score: 0.1098
208
+ 2025-09-26 12:53:29,883 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0141 | Val rms_score: 0.1086
209
+ 2025-09-26 12:53:42,496 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0134 | Val rms_score: 0.1092
210
+ 2025-09-26 12:53:54,673 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0141 | Val rms_score: 0.1086
211
+ 2025-09-26 12:54:06,789 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0137 | Val rms_score: 0.1087
212
+ 2025-09-26 12:54:18,963 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0127 | Val rms_score: 0.1098
213
+ 2025-09-26 12:54:31,008 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0133 | Val rms_score: 0.1093
214
+ 2025-09-26 12:54:42,814 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0119 | Val rms_score: 0.1086
215
+ 2025-09-26 12:54:54,519 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0168 | Val rms_score: 0.1088
216
+ 2025-09-26 12:55:06,407 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0141 | Val rms_score: 0.1088
217
+ 2025-09-26 12:55:18,241 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0119 | Val rms_score: 0.1087
218
+ 2025-09-26 12:55:19,237 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Test rms_score: 0.1163
219
+ 2025-09-26 12:55:19,670 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset astrazeneca_ppb at 2025-09-26_12-55-19
220
+ 2025-09-26 12:55:29,952 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7028 | Val rms_score: 0.1287
221
+ 2025-09-26 12:55:29,952 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 45
222
+ 2025-09-26 12:55:30,514 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.1287
223
+ 2025-09-26 12:55:42,309 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4056 | Val rms_score: 0.1099
224
+ 2025-09-26 12:55:42,496 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 90
225
+ 2025-09-26 12:55:43,086 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.1099
226
+ 2025-09-26 12:55:53,812 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3000 | Val rms_score: 0.1025
227
+ 2025-09-26 12:55:54,003 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Global step of best model: 135
228
+ 2025-09-26 12:55:54,572 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.1025
229
+ 2025-09-26 12:56:05,444 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2250 | Val rms_score: 0.1048
230
+ 2025-09-26 12:56:17,644 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.1700 | Val rms_score: 0.1112
231
+ 2025-09-26 12:56:29,336 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1444 | Val rms_score: 0.1043
232
+ 2025-09-26 12:56:42,006 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1688 | Val rms_score: 0.1114
233
+ 2025-09-26 12:56:54,152 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1257 | Val rms_score: 0.1065
234
+ 2025-09-26 12:57:06,299 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1187 | Val rms_score: 0.1082
235
+ 2025-09-26 12:57:18,516 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1042 | Val rms_score: 0.1061
236
+ 2025-09-26 12:57:30,789 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.0958 | Val rms_score: 0.1092
237
+ 2025-09-26 12:57:42,834 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.0852 | Val rms_score: 0.1091
238
+ 2025-09-26 12:57:54,952 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0792 | Val rms_score: 0.1084
239
+ 2025-09-26 12:58:07,046 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0807 | Val rms_score: 0.1087
240
+ 2025-09-26 12:58:19,188 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0708 | Val rms_score: 0.1091
241
+ 2025-09-26 12:58:31,150 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0668 | Val rms_score: 0.1086
242
+ 2025-09-26 12:58:43,642 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0663 | Val rms_score: 0.1074
243
+ 2025-09-26 12:58:55,883 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0965 | Val rms_score: 0.1119
244
+ 2025-09-26 12:59:08,465 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0868 | Val rms_score: 0.1122
245
+ 2025-09-26 12:59:21,000 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0549 | Val rms_score: 0.1108
246
+ 2025-09-26 12:59:33,366 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0469 | Val rms_score: 0.1073
247
+ 2025-09-26 12:59:46,078 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0417 | Val rms_score: 0.1086
248
+ 2025-09-26 12:59:58,896 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0411 | Val rms_score: 0.1070
249
+ 2025-09-26 13:00:10,762 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0399 | Val rms_score: 0.1073
250
+ 2025-09-26 13:00:24,245 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0334 | Val rms_score: 0.1086
251
+ 2025-09-26 13:00:37,660 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0356 | Val rms_score: 0.1078
252
+ 2025-09-26 13:00:50,814 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0359 | Val rms_score: 0.1103
253
+ 2025-09-26 13:01:03,818 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0339 | Val rms_score: 0.1081
254
+ 2025-09-26 13:01:16,784 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0434 | Val rms_score: 0.1072
255
+ 2025-09-26 13:01:29,829 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0318 | Val rms_score: 0.1077
256
+ 2025-09-26 13:01:41,627 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0286 | Val rms_score: 0.1086
257
+ 2025-09-26 13:01:54,829 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0283 | Val rms_score: 0.1075
258
+ 2025-09-26 13:02:06,983 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0328 | Val rms_score: 0.1081
259
+ 2025-09-26 13:02:19,032 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0329 | Val rms_score: 0.1076
260
+ 2025-09-26 13:02:31,046 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0281 | Val rms_score: 0.1087
261
+ 2025-09-26 13:02:42,066 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0244 | Val rms_score: 0.1083
262
+ 2025-09-26 13:02:54,053 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0267 | Val rms_score: 0.1100
263
+ 2025-09-26 13:03:05,316 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0227 | Val rms_score: 0.1084
264
+ 2025-09-26 13:03:16,999 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0247 | Val rms_score: 0.1096
265
+ 2025-09-26 13:03:28,585 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0273 | Val rms_score: 0.1082
266
+ 2025-09-26 13:03:40,138 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0236 | Val rms_score: 0.1079
267
+ 2025-09-26 13:03:52,526 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0250 | Val rms_score: 0.1072
268
+ 2025-09-26 13:04:04,273 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0237 | Val rms_score: 0.1083
269
+ 2025-09-26 13:04:15,726 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0227 | Val rms_score: 0.1077
270
+ 2025-09-26 13:04:28,186 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0278 | Val rms_score: 0.1074
271
+ 2025-09-26 13:04:39,559 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0250 | Val rms_score: 0.1084
272
+ 2025-09-26 13:04:51,933 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0234 | Val rms_score: 0.1086
273
+ 2025-09-26 13:05:03,638 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0247 | Val rms_score: 0.1081
274
+ 2025-09-26 13:05:15,279 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0162 | Val rms_score: 0.1079
275
+ 2025-09-26 13:05:26,726 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0218 | Val rms_score: 0.1085
276
+ 2025-09-26 13:05:37,169 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0208 | Val rms_score: 0.1071
277
+ 2025-09-26 13:05:48,972 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0225 | Val rms_score: 0.1084
278
+ 2025-09-26 13:06:00,142 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0209 | Val rms_score: 0.1094
279
+ 2025-09-26 13:06:11,670 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0201 | Val rms_score: 0.1092
280
+ 2025-09-26 13:06:23,189 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0234 | Val rms_score: 0.1097
281
+ 2025-09-26 13:06:34,721 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0256 | Val rms_score: 0.1072
282
+ 2025-09-26 13:06:46,606 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0224 | Val rms_score: 0.1101
283
+ 2025-09-26 13:06:57,536 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0208 | Val rms_score: 0.1078
284
+ 2025-09-26 13:07:09,241 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0195 | Val rms_score: 0.1086
285
+ 2025-09-26 13:07:19,416 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0187 | Val rms_score: 0.1085
286
+ 2025-09-26 13:07:31,181 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0184 | Val rms_score: 0.1090
287
+ 2025-09-26 13:07:43,377 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0201 | Val rms_score: 0.1082
288
+ 2025-09-26 13:07:54,419 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0179 | Val rms_score: 0.1080
289
+ 2025-09-26 13:08:05,848 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0187 | Val rms_score: 0.1086
290
+ 2025-09-26 13:08:17,530 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0177 | Val rms_score: 0.1090
291
+ 2025-09-26 13:08:28,975 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0183 | Val rms_score: 0.1096
292
+ 2025-09-26 13:08:42,214 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0163 | Val rms_score: 0.1077
293
+ 2025-09-26 13:08:53,015 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0169 | Val rms_score: 0.1073
294
+ 2025-09-26 13:09:03,228 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0225 | Val rms_score: 0.1079
295
+ 2025-09-26 13:09:14,868 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0178 | Val rms_score: 0.1078
296
+ 2025-09-26 13:09:26,371 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0184 | Val rms_score: 0.1081
297
+ 2025-09-26 13:09:37,279 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0175 | Val rms_score: 0.1087
298
+ 2025-09-26 13:09:49,019 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0162 | Val rms_score: 0.1088
299
+ 2025-09-26 13:10:01,116 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0156 | Val rms_score: 0.1086
300
+ 2025-09-26 13:10:12,880 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0174 | Val rms_score: 0.1081
301
+ 2025-09-26 13:10:24,712 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0209 | Val rms_score: 0.1089
302
+ 2025-09-26 13:10:36,886 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0221 | Val rms_score: 0.1084
303
+ 2025-09-26 13:10:48,202 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0227 | Val rms_score: 0.1084
304
+ 2025-09-26 13:10:59,832 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0175 | Val rms_score: 0.1084
305
+ 2025-09-26 13:11:11,625 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0161 | Val rms_score: 0.1090
306
+ 2025-09-26 13:11:23,478 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0155 | Val rms_score: 0.1080
307
+ 2025-09-26 13:11:35,475 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0165 | Val rms_score: 0.1084
308
+ 2025-09-26 13:11:46,594 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0150 | Val rms_score: 0.1086
309
+ 2025-09-26 13:11:58,107 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0152 | Val rms_score: 0.1088
310
+ 2025-09-26 13:12:10,067 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0137 | Val rms_score: 0.1090
311
+ 2025-09-26 13:12:22,008 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0150 | Val rms_score: 0.1092
312
+ 2025-09-26 13:12:34,298 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0128 | Val rms_score: 0.1088
313
+ 2025-09-26 13:12:45,464 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0161 | Val rms_score: 0.1098
314
+ 2025-09-26 13:12:58,779 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0205 | Val rms_score: 0.1086
315
+ 2025-09-26 13:13:10,398 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0141 | Val rms_score: 0.1075
316
+ 2025-09-26 13:13:20,445 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0135 | Val rms_score: 0.1082
317
+ 2025-09-26 13:13:32,473 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0148 | Val rms_score: 0.1084
318
+ 2025-09-26 13:13:43,218 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0136 | Val rms_score: 0.1099
319
+ 2025-09-26 13:13:54,863 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0131 | Val rms_score: 0.1085
320
+ 2025-09-26 13:14:06,437 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0129 | Val rms_score: 0.1092
321
+ 2025-09-26 13:14:17,922 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0114 | Val rms_score: 0.1088
322
+ 2025-09-26 13:14:29,971 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0135 | Val rms_score: 0.1092
323
+ 2025-09-26 13:14:41,124 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0106 | Val rms_score: 0.1078
324
+ 2025-09-26 13:14:52,620 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0139 | Val rms_score: 0.1080
325
+ 2025-09-26 13:15:04,097 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0135 | Val rms_score: 0.1079
326
+ 2025-09-26 13:15:05,169 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Test rms_score: 0.1226
327
+ 2025-09-26 13:15:05,575 - logs_modchembert_astrazeneca_ppb_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.1195, Std Dev: 0.0026
logs_modchembert_regression_ModChemBERT-MLM-DAPT-TAFT/modchembert_deepchem_splits_run_astrazeneca_solubility_epochs100_batch_size32_20250926_131505.log ADDED
@@ -0,0 +1,355 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2025-09-26 13:15:05,577 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Running benchmark for dataset: astrazeneca_solubility
2
+ 2025-09-26 13:15:05,577 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - dataset: astrazeneca_solubility, tasks: ['y'], epochs: 100, learning rate: 3e-05, transform: True
3
+ 2025-09-26 13:15:05,585 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Starting triplicate run 1 for dataset astrazeneca_solubility at 2025-09-26_13-15-05
4
+ 2025-09-26 13:15:15,437 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7389 | Val rms_score: 0.8587
5
+ 2025-09-26 13:15:15,437 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 45
6
+ 2025-09-26 13:15:15,986 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.8587
7
+ 2025-09-26 13:15:26,752 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4528 | Val rms_score: 0.8449
8
+ 2025-09-26 13:15:26,945 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 90
9
+ 2025-09-26 13:15:27,519 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.8449
10
+ 2025-09-26 13:15:38,677 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3393 | Val rms_score: 0.8458
11
+ 2025-09-26 13:15:49,729 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2819 | Val rms_score: 0.8696
12
+ 2025-09-26 13:15:59,678 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2612 | Val rms_score: 0.7790
13
+ 2025-09-26 13:15:59,873 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 225
14
+ 2025-09-26 13:16:00,446 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 5 with val rms_score: 0.7790
15
+ 2025-09-26 13:16:11,717 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.2264 | Val rms_score: 0.7823
16
+ 2025-09-26 13:16:22,233 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1833 | Val rms_score: 0.7599
17
+ 2025-09-26 13:16:22,468 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 315
18
+ 2025-09-26 13:16:23,081 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 7 with val rms_score: 0.7599
19
+ 2025-09-26 13:16:32,611 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1486 | Val rms_score: 0.7730
20
+ 2025-09-26 13:16:43,703 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1320 | Val rms_score: 0.7621
21
+ 2025-09-26 13:16:55,276 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1278 | Val rms_score: 0.7786
22
+ 2025-09-26 13:17:06,975 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.1118 | Val rms_score: 0.7555
23
+ 2025-09-26 13:17:07,548 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 495
24
+ 2025-09-26 13:17:08,163 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 11 with val rms_score: 0.7555
25
+ 2025-09-26 13:17:19,763 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.1297 | Val rms_score: 0.7880
26
+ 2025-09-26 13:17:30,598 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0993 | Val rms_score: 0.8042
27
+ 2025-09-26 13:17:41,747 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0964 | Val rms_score: 0.8208
28
+ 2025-09-26 13:17:52,844 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.1201 | Val rms_score: 0.8173
29
+ 2025-09-26 13:18:03,982 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.1062 | Val rms_score: 0.7460
30
+ 2025-09-26 13:18:04,556 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 720
31
+ 2025-09-26 13:18:05,190 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 16 with val rms_score: 0.7460
32
+ 2025-09-26 13:18:16,503 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0743 | Val rms_score: 0.7628
33
+ 2025-09-26 13:18:25,902 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0641 | Val rms_score: 0.7632
34
+ 2025-09-26 13:18:37,076 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0663 | Val rms_score: 0.7819
35
+ 2025-09-26 13:18:46,983 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0840 | Val rms_score: 0.8082
36
+ 2025-09-26 13:18:58,082 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.1729 | Val rms_score: 0.7605
37
+ 2025-09-26 13:19:09,513 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0986 | Val rms_score: 0.8006
38
+ 2025-09-26 13:19:21,303 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0924 | Val rms_score: 0.7722
39
+ 2025-09-26 13:19:31,827 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0736 | Val rms_score: 0.7671
40
+ 2025-09-26 13:19:43,143 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0875 | Val rms_score: 0.7677
41
+ 2025-09-26 13:19:54,274 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0660 | Val rms_score: 0.7634
42
+ 2025-09-26 13:20:05,823 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0714 | Val rms_score: 0.7641
43
+ 2025-09-26 13:20:16,612 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0545 | Val rms_score: 0.7647
44
+ 2025-09-26 13:20:27,786 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0551 | Val rms_score: 0.7654
45
+ 2025-09-26 13:20:38,758 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0542 | Val rms_score: 0.7655
46
+ 2025-09-26 13:20:49,985 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0556 | Val rms_score: 0.7888
47
+ 2025-09-26 13:21:01,833 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0508 | Val rms_score: 0.7685
48
+ 2025-09-26 13:21:12,388 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0500 | Val rms_score: 0.7674
49
+ 2025-09-26 13:21:23,652 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0456 | Val rms_score: 0.7684
50
+ 2025-09-26 13:21:34,939 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0443 | Val rms_score: 0.7684
51
+ 2025-09-26 13:21:46,241 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0492 | Val rms_score: 0.7739
52
+ 2025-09-26 13:21:57,664 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0405 | Val rms_score: 0.7761
53
+ 2025-09-26 13:22:08,257 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0305 | Val rms_score: 0.7681
54
+ 2025-09-26 13:22:19,446 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0373 | Val rms_score: 0.7728
55
+ 2025-09-26 13:22:30,687 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0359 | Val rms_score: 0.7658
56
+ 2025-09-26 13:22:41,902 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0370 | Val rms_score: 0.7706
57
+ 2025-09-26 13:22:53,379 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0345 | Val rms_score: 0.7662
58
+ 2025-09-26 13:23:04,068 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0324 | Val rms_score: 0.7682
59
+ 2025-09-26 13:23:15,235 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0326 | Val rms_score: 0.7742
60
+ 2025-09-26 13:23:28,432 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0334 | Val rms_score: 0.7614
61
+ 2025-09-26 13:23:39,124 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0326 | Val rms_score: 0.7681
62
+ 2025-09-26 13:23:50,783 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0315 | Val rms_score: 0.7607
63
+ 2025-09-26 13:24:01,255 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0302 | Val rms_score: 0.7661
64
+ 2025-09-26 13:24:12,523 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0252 | Val rms_score: 0.7694
65
+ 2025-09-26 13:24:23,600 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0306 | Val rms_score: 0.7740
66
+ 2025-09-26 13:24:34,752 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0306 | Val rms_score: 0.7678
67
+ 2025-09-26 13:24:46,449 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0293 | Val rms_score: 0.7617
68
+ 2025-09-26 13:24:57,356 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0337 | Val rms_score: 0.7679
69
+ 2025-09-26 13:25:08,647 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0336 | Val rms_score: 0.7655
70
+ 2025-09-26 13:25:19,771 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0486 | Val rms_score: 0.7860
71
+ 2025-09-26 13:25:30,956 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0367 | Val rms_score: 0.7905
72
+ 2025-09-26 13:25:42,557 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0300 | Val rms_score: 0.7772
73
+ 2025-09-26 13:25:53,116 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0256 | Val rms_score: 0.7851
74
+ 2025-09-26 13:26:04,290 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0281 | Val rms_score: 0.7832
75
+ 2025-09-26 13:26:15,475 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0264 | Val rms_score: 0.7802
76
+ 2025-09-26 13:26:26,468 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0234 | Val rms_score: 0.7767
77
+ 2025-09-26 13:26:38,039 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0234 | Val rms_score: 0.7787
78
+ 2025-09-26 13:26:48,572 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0276 | Val rms_score: 0.7785
79
+ 2025-09-26 13:26:59,570 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0292 | Val rms_score: 0.7815
80
+ 2025-09-26 13:27:10,783 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0253 | Val rms_score: 0.7859
81
+ 2025-09-26 13:27:22,212 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0247 | Val rms_score: 0.7818
82
+ 2025-09-26 13:27:35,042 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0288 | Val rms_score: 0.7855
83
+ 2025-09-26 13:27:45,370 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0234 | Val rms_score: 0.7777
84
+ 2025-09-26 13:27:56,015 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0187 | Val rms_score: 0.7758
85
+ 2025-09-26 13:28:06,959 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0226 | Val rms_score: 0.7814
86
+ 2025-09-26 13:28:18,093 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0220 | Val rms_score: 0.7792
87
+ 2025-09-26 13:28:29,564 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0212 | Val rms_score: 0.7721
88
+ 2025-09-26 13:28:39,939 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0207 | Val rms_score: 0.7766
89
+ 2025-09-26 13:28:51,099 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0199 | Val rms_score: 0.7785
90
+ 2025-09-26 13:29:02,353 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0195 | Val rms_score: 0.7787
91
+ 2025-09-26 13:29:13,561 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0207 | Val rms_score: 0.7746
92
+ 2025-09-26 13:29:25,169 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0201 | Val rms_score: 0.7733
93
+ 2025-09-26 13:29:35,855 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0173 | Val rms_score: 0.7729
94
+ 2025-09-26 13:29:47,058 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0198 | Val rms_score: 0.7750
95
+ 2025-09-26 13:29:58,046 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0199 | Val rms_score: 0.7769
96
+ 2025-09-26 13:30:09,101 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0233 | Val rms_score: 0.7795
97
+ 2025-09-26 13:30:20,667 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0215 | Val rms_score: 0.7770
98
+ 2025-09-26 13:30:31,249 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0190 | Val rms_score: 0.7737
99
+ 2025-09-26 13:30:42,319 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0202 | Val rms_score: 0.7703
100
+ 2025-09-26 13:30:53,297 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0186 | Val rms_score: 0.7765
101
+ 2025-09-26 13:31:04,222 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0193 | Val rms_score: 0.7825
102
+ 2025-09-26 13:31:15,897 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0177 | Val rms_score: 0.7797
103
+ 2025-09-26 13:31:26,265 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0180 | Val rms_score: 0.7798
104
+ 2025-09-26 13:31:38,712 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0172 | Val rms_score: 0.7695
105
+ 2025-09-26 13:31:49,750 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0189 | Val rms_score: 0.7755
106
+ 2025-09-26 13:31:59,490 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0167 | Val rms_score: 0.7763
107
+ 2025-09-26 13:32:11,079 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0179 | Val rms_score: 0.7805
108
+ 2025-09-26 13:32:21,641 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0174 | Val rms_score: 0.7773
109
+ 2025-09-26 13:32:33,123 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0178 | Val rms_score: 0.7782
110
+ 2025-09-26 13:32:44,114 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0170 | Val rms_score: 0.7847
111
+ 2025-09-26 13:32:55,512 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0185 | Val rms_score: 0.7814
112
+ 2025-09-26 13:33:07,157 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0189 | Val rms_score: 0.7690
113
+ 2025-09-26 13:33:17,534 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0181 | Val rms_score: 0.7776
114
+ 2025-09-26 13:33:28,881 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0166 | Val rms_score: 0.7753
115
+ 2025-09-26 13:33:39,981 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0161 | Val rms_score: 0.7774
116
+ 2025-09-26 13:33:40,959 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Test rms_score: 0.8220
117
+ 2025-09-26 13:33:41,403 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Starting triplicate run 2 for dataset astrazeneca_solubility at 2025-09-26_13-33-41
118
+ 2025-09-26 13:33:51,206 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.6750 | Val rms_score: 0.8976
119
+ 2025-09-26 13:33:51,206 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 45
120
+ 2025-09-26 13:33:51,792 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.8976
121
+ 2025-09-26 13:34:02,321 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4278 | Val rms_score: 0.8126
122
+ 2025-09-26 13:34:02,524 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 90
123
+ 2025-09-26 13:34:03,215 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.8126
124
+ 2025-09-26 13:34:13,932 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3482 | Val rms_score: 0.8442
125
+ 2025-09-26 13:34:23,777 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.2708 | Val rms_score: 0.7978
126
+ 2025-09-26 13:34:23,968 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 180
127
+ 2025-09-26 13:34:24,518 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.7978
128
+ 2025-09-26 13:34:35,816 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2250 | Val rms_score: 0.8127
129
+ 2025-09-26 13:34:45,617 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.1889 | Val rms_score: 0.8218
130
+ 2025-09-26 13:34:57,175 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1854 | Val rms_score: 0.8026
131
+ 2025-09-26 13:35:07,756 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1625 | Val rms_score: 0.7942
132
+ 2025-09-26 13:35:07,952 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 360
133
+ 2025-09-26 13:35:08,546 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 8 with val rms_score: 0.7942
134
+ 2025-09-26 13:35:19,712 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1578 | Val rms_score: 0.8740
135
+ 2025-09-26 13:35:30,930 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1326 | Val rms_score: 0.8038
136
+ 2025-09-26 13:35:42,162 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.1285 | Val rms_score: 0.8158
137
+ 2025-09-26 13:35:53,709 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.1195 | Val rms_score: 0.7808
138
+ 2025-09-26 13:35:53,865 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 540
139
+ 2025-09-26 13:35:54,461 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 12 with val rms_score: 0.7808
140
+ 2025-09-26 13:36:05,937 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.0993 | Val rms_score: 0.7845
141
+ 2025-09-26 13:36:16,288 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.0823 | Val rms_score: 0.7906
142
+ 2025-09-26 13:36:27,416 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0813 | Val rms_score: 0.7734
143
+ 2025-09-26 13:36:27,573 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 675
144
+ 2025-09-26 13:36:28,175 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 15 with val rms_score: 0.7734
145
+ 2025-09-26 13:36:39,828 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0797 | Val rms_score: 0.7788
146
+ 2025-09-26 13:36:51,313 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.0715 | Val rms_score: 0.7872
147
+ 2025-09-26 13:37:01,760 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.0703 | Val rms_score: 0.8004
148
+ 2025-09-26 13:37:12,967 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0830 | Val rms_score: 0.8070
149
+ 2025-09-26 13:37:24,037 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.1250 | Val rms_score: 0.7810
150
+ 2025-09-26 13:37:35,195 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0788 | Val rms_score: 0.7993
151
+ 2025-09-26 13:37:46,069 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0688 | Val rms_score: 0.7960
152
+ 2025-09-26 13:37:59,060 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0670 | Val rms_score: 0.8642
153
+ 2025-09-26 13:38:09,273 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0986 | Val rms_score: 0.7798
154
+ 2025-09-26 13:38:20,383 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0584 | Val rms_score: 0.7798
155
+ 2025-09-26 13:38:30,246 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0535 | Val rms_score: 0.7865
156
+ 2025-09-26 13:38:41,487 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0505 | Val rms_score: 0.7825
157
+ 2025-09-26 13:38:52,161 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0465 | Val rms_score: 0.7745
158
+ 2025-09-26 13:39:03,234 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0527 | Val rms_score: 0.7754
159
+ 2025-09-26 13:39:14,485 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0434 | Val rms_score: 0.7700
160
+ 2025-09-26 13:39:14,640 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1350
161
+ 2025-09-26 13:39:15,575 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 30 with val rms_score: 0.7700
162
+ 2025-09-26 13:39:27,013 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0427 | Val rms_score: 0.7868
163
+ 2025-09-26 13:39:38,704 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0504 | Val rms_score: 0.8211
164
+ 2025-09-26 13:39:49,008 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.1174 | Val rms_score: 0.7949
165
+ 2025-09-26 13:40:00,443 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0503 | Val rms_score: 0.7821
166
+ 2025-09-26 13:40:10,338 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0415 | Val rms_score: 0.7749
167
+ 2025-09-26 13:40:20,233 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0393 | Val rms_score: 0.7799
168
+ 2025-09-26 13:40:30,645 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0392 | Val rms_score: 0.7697
169
+ 2025-09-26 13:40:30,803 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1665
170
+ 2025-09-26 13:40:31,418 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 37 with val rms_score: 0.7697
171
+ 2025-09-26 13:40:41,806 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0326 | Val rms_score: 0.7696
172
+ 2025-09-26 13:40:41,998 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 1710
173
+ 2025-09-26 13:40:42,581 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 38 with val rms_score: 0.7696
174
+ 2025-09-26 13:40:52,456 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0358 | Val rms_score: 0.7790
175
+ 2025-09-26 13:41:03,415 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0328 | Val rms_score: 0.7866
176
+ 2025-09-26 13:41:14,521 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0340 | Val rms_score: 0.7926
177
+ 2025-09-26 13:41:26,006 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0458 | Val rms_score: 0.7763
178
+ 2025-09-26 13:41:36,864 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0359 | Val rms_score: 0.7821
179
+ 2025-09-26 13:41:47,700 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0304 | Val rms_score: 0.7782
180
+ 2025-09-26 13:42:00,697 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0311 | Val rms_score: 0.7881
181
+ 2025-09-26 13:42:11,529 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0302 | Val rms_score: 0.7734
182
+ 2025-09-26 13:42:23,434 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0264 | Val rms_score: 0.7851
183
+ 2025-09-26 13:42:33,843 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0280 | Val rms_score: 0.7829
184
+ 2025-09-26 13:42:45,118 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0330 | Val rms_score: 0.7784
185
+ 2025-09-26 13:42:56,259 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0292 | Val rms_score: 0.7770
186
+ 2025-09-26 13:43:07,434 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0302 | Val rms_score: 0.7775
187
+ 2025-09-26 13:43:19,041 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0258 | Val rms_score: 0.7863
188
+ 2025-09-26 13:43:29,558 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0248 | Val rms_score: 0.7966
189
+ 2025-09-26 13:43:40,560 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0331 | Val rms_score: 0.7846
190
+ 2025-09-26 13:43:51,796 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0385 | Val rms_score: 0.7851
191
+ 2025-09-26 13:44:03,146 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0273 | Val rms_score: 0.7870
192
+ 2025-09-26 13:44:14,701 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0252 | Val rms_score: 0.7892
193
+ 2025-09-26 13:44:25,444 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0223 | Val rms_score: 0.7886
194
+ 2025-09-26 13:44:36,965 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0238 | Val rms_score: 0.7753
195
+ 2025-09-26 13:44:48,084 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0234 | Val rms_score: 0.7768
196
+ 2025-09-26 13:44:59,363 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0236 | Val rms_score: 0.7820
197
+ 2025-09-26 13:45:11,040 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0213 | Val rms_score: 0.7818
198
+ 2025-09-26 13:45:21,771 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0231 | Val rms_score: 0.7804
199
+ 2025-09-26 13:45:32,967 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0226 | Val rms_score: 0.7924
200
+ 2025-09-26 13:45:44,041 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0214 | Val rms_score: 0.7804
201
+ 2025-09-26 13:45:55,004 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0219 | Val rms_score: 0.7886
202
+ 2025-09-26 13:46:07,819 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0262 | Val rms_score: 0.7843
203
+ 2025-09-26 13:46:17,987 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0231 | Val rms_score: 0.7845
204
+ 2025-09-26 13:46:28,473 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0224 | Val rms_score: 0.7851
205
+ 2025-09-26 13:46:39,758 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0199 | Val rms_score: 0.7797
206
+ 2025-09-26 13:46:50,653 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0203 | Val rms_score: 0.7780
207
+ 2025-09-26 13:47:02,060 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0198 | Val rms_score: 0.7842
208
+ 2025-09-26 13:47:12,653 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0222 | Val rms_score: 0.7786
209
+ 2025-09-26 13:47:23,756 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0197 | Val rms_score: 0.7788
210
+ 2025-09-26 13:47:34,840 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0192 | Val rms_score: 0.7753
211
+ 2025-09-26 13:47:45,896 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0186 | Val rms_score: 0.7757
212
+ 2025-09-26 13:47:57,402 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0184 | Val rms_score: 0.7740
213
+ 2025-09-26 13:48:07,990 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0219 | Val rms_score: 0.7752
214
+ 2025-09-26 13:48:19,340 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0197 | Val rms_score: 0.7811
215
+ 2025-09-26 13:48:30,595 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0189 | Val rms_score: 0.7773
216
+ 2025-09-26 13:48:41,984 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0194 | Val rms_score: 0.7854
217
+ 2025-09-26 13:48:53,817 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0224 | Val rms_score: 0.7773
218
+ 2025-09-26 13:49:04,169 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0177 | Val rms_score: 0.7791
219
+ 2025-09-26 13:49:15,443 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0184 | Val rms_score: 0.7859
220
+ 2025-09-26 13:49:26,512 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0198 | Val rms_score: 0.7828
221
+ 2025-09-26 13:49:37,494 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0185 | Val rms_score: 0.7719
222
+ 2025-09-26 13:49:48,490 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0176 | Val rms_score: 0.7784
223
+ 2025-09-26 13:49:59,155 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0175 | Val rms_score: 0.7816
224
+ 2025-09-26 13:50:11,471 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0192 | Val rms_score: 0.7780
225
+ 2025-09-26 13:50:22,720 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0188 | Val rms_score: 0.7841
226
+ 2025-09-26 13:50:32,333 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0177 | Val rms_score: 0.7847
227
+ 2025-09-26 13:50:44,149 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0183 | Val rms_score: 0.7836
228
+ 2025-09-26 13:50:54,649 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0175 | Val rms_score: 0.7853
229
+ 2025-09-26 13:51:05,793 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0161 | Val rms_score: 0.7767
230
+ 2025-09-26 13:51:16,881 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0168 | Val rms_score: 0.7793
231
+ 2025-09-26 13:51:27,875 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0170 | Val rms_score: 0.7819
232
+ 2025-09-26 13:51:39,607 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0165 | Val rms_score: 0.7794
233
+ 2025-09-26 13:51:50,154 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0181 | Val rms_score: 0.7845
234
+ 2025-09-26 13:52:01,370 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0167 | Val rms_score: 0.7827
235
+ 2025-09-26 13:52:12,488 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0181 | Val rms_score: 0.7765
236
+ 2025-09-26 13:52:13,459 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Test rms_score: 0.8866
237
+ 2025-09-26 13:52:13,921 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Starting triplicate run 3 for dataset astrazeneca_solubility at 2025-09-26_13-52-13
238
+ 2025-09-26 13:52:23,994 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 1/100 | Train Loss: 0.7111 | Val rms_score: 0.8542
239
+ 2025-09-26 13:52:23,994 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 45
240
+ 2025-09-26 13:52:24,546 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 1 with val rms_score: 0.8542
241
+ 2025-09-26 13:52:35,041 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 2/100 | Train Loss: 0.4556 | Val rms_score: 0.8372
242
+ 2025-09-26 13:52:35,222 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 90
243
+ 2025-09-26 13:52:35,769 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 2 with val rms_score: 0.8372
244
+ 2025-09-26 13:52:46,154 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 3/100 | Train Loss: 0.3482 | Val rms_score: 0.8297
245
+ 2025-09-26 13:52:46,343 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 135
246
+ 2025-09-26 13:52:46,909 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 3 with val rms_score: 0.8297
247
+ 2025-09-26 13:52:56,741 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 4/100 | Train Loss: 0.3000 | Val rms_score: 0.8201
248
+ 2025-09-26 13:52:56,926 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 180
249
+ 2025-09-26 13:52:57,504 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 4 with val rms_score: 0.8201
250
+ 2025-09-26 13:53:07,307 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 5/100 | Train Loss: 0.2662 | Val rms_score: 0.8202
251
+ 2025-09-26 13:53:18,510 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 6/100 | Train Loss: 0.2319 | Val rms_score: 0.7968
252
+ 2025-09-26 13:53:19,119 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 270
253
+ 2025-09-26 13:53:19,831 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 6 with val rms_score: 0.7968
254
+ 2025-09-26 13:53:31,485 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 7/100 | Train Loss: 0.1781 | Val rms_score: 0.8236
255
+ 2025-09-26 13:53:41,255 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 8/100 | Train Loss: 0.1569 | Val rms_score: 0.8031
256
+ 2025-09-26 13:53:51,080 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 9/100 | Train Loss: 0.1703 | Val rms_score: 0.7950
257
+ 2025-09-26 13:53:51,292 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 405
258
+ 2025-09-26 13:53:51,848 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 9 with val rms_score: 0.7950
259
+ 2025-09-26 13:54:01,937 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 10/100 | Train Loss: 0.1639 | Val rms_score: 0.7853
260
+ 2025-09-26 13:54:02,154 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 450
261
+ 2025-09-26 13:54:02,760 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 10 with val rms_score: 0.7853
262
+ 2025-09-26 13:54:12,656 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 11/100 | Train Loss: 0.1257 | Val rms_score: 0.7955
263
+ 2025-09-26 13:54:23,038 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 12/100 | Train Loss: 0.1250 | Val rms_score: 0.8307
264
+ 2025-09-26 13:54:33,637 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 13/100 | Train Loss: 0.1194 | Val rms_score: 0.7691
265
+ 2025-09-26 13:54:33,822 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Global step of best model: 585
266
+ 2025-09-26 13:54:34,395 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Best model saved at epoch 13 with val rms_score: 0.7691
267
+ 2025-09-26 13:54:45,715 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 14/100 | Train Loss: 0.1026 | Val rms_score: 0.7885
268
+ 2025-09-26 13:54:55,798 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 15/100 | Train Loss: 0.0924 | Val rms_score: 0.7810
269
+ 2025-09-26 13:55:07,082 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 16/100 | Train Loss: 0.0934 | Val rms_score: 0.8110
270
+ 2025-09-26 13:55:18,898 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 17/100 | Train Loss: 0.1111 | Val rms_score: 0.7975
271
+ 2025-09-26 13:55:29,465 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 18/100 | Train Loss: 0.1047 | Val rms_score: 0.8331
272
+ 2025-09-26 13:55:40,615 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 19/100 | Train Loss: 0.0944 | Val rms_score: 0.7800
273
+ 2025-09-26 13:55:51,688 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 20/100 | Train Loss: 0.0694 | Val rms_score: 0.7858
274
+ 2025-09-26 13:56:02,657 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 21/100 | Train Loss: 0.0635 | Val rms_score: 0.7762
275
+ 2025-09-26 13:56:14,590 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 22/100 | Train Loss: 0.0597 | Val rms_score: 0.7937
276
+ 2025-09-26 13:56:25,542 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 23/100 | Train Loss: 0.0594 | Val rms_score: 0.7759
277
+ 2025-09-26 13:56:37,201 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 24/100 | Train Loss: 0.0590 | Val rms_score: 0.7825
278
+ 2025-09-26 13:56:48,730 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 25/100 | Train Loss: 0.0716 | Val rms_score: 0.7732
279
+ 2025-09-26 13:57:01,629 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 26/100 | Train Loss: 0.0566 | Val rms_score: 0.7848
280
+ 2025-09-26 13:57:14,215 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 27/100 | Train Loss: 0.0534 | Val rms_score: 0.7851
281
+ 2025-09-26 13:57:25,481 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 28/100 | Train Loss: 0.0538 | Val rms_score: 0.8081
282
+ 2025-09-26 13:57:36,540 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 29/100 | Train Loss: 0.0695 | Val rms_score: 0.7852
283
+ 2025-09-26 13:57:47,459 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 30/100 | Train Loss: 0.0958 | Val rms_score: 0.7963
284
+ 2025-09-26 13:57:58,637 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 31/100 | Train Loss: 0.0722 | Val rms_score: 0.8134
285
+ 2025-09-26 13:58:10,406 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 32/100 | Train Loss: 0.0508 | Val rms_score: 0.8020
286
+ 2025-09-26 13:58:21,894 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 33/100 | Train Loss: 0.0476 | Val rms_score: 0.8108
287
+ 2025-09-26 13:58:32,905 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 34/100 | Train Loss: 0.0477 | Val rms_score: 0.8176
288
+ 2025-09-26 13:58:43,877 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 35/100 | Train Loss: 0.0415 | Val rms_score: 0.8120
289
+ 2025-09-26 13:58:54,946 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 36/100 | Train Loss: 0.0398 | Val rms_score: 0.8058
290
+ 2025-09-26 13:59:06,856 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 37/100 | Train Loss: 0.0465 | Val rms_score: 0.8037
291
+ 2025-09-26 13:59:18,184 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 38/100 | Train Loss: 0.0357 | Val rms_score: 0.7942
292
+ 2025-09-26 13:59:28,844 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 39/100 | Train Loss: 0.0384 | Val rms_score: 0.8053
293
+ 2025-09-26 13:59:39,716 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 40/100 | Train Loss: 0.0372 | Val rms_score: 0.7993
294
+ 2025-09-26 13:59:51,125 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 41/100 | Train Loss: 0.0337 | Val rms_score: 0.8026
295
+ 2025-09-26 14:00:02,765 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 42/100 | Train Loss: 0.0312 | Val rms_score: 0.8014
296
+ 2025-09-26 14:00:13,903 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 43/100 | Train Loss: 0.0321 | Val rms_score: 0.8088
297
+ 2025-09-26 14:00:24,677 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 44/100 | Train Loss: 0.0354 | Val rms_score: 0.7943
298
+ 2025-09-26 14:00:37,226 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 45/100 | Train Loss: 0.0358 | Val rms_score: 0.7916
299
+ 2025-09-26 14:00:49,378 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 46/100 | Train Loss: 0.0312 | Val rms_score: 0.7927
300
+ 2025-09-26 14:01:01,066 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 47/100 | Train Loss: 0.0293 | Val rms_score: 0.7951
301
+ 2025-09-26 14:01:12,536 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 48/100 | Train Loss: 0.0297 | Val rms_score: 0.8016
302
+ 2025-09-26 14:01:23,450 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 49/100 | Train Loss: 0.0256 | Val rms_score: 0.8044
303
+ 2025-09-26 14:01:34,598 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 50/100 | Train Loss: 0.0285 | Val rms_score: 0.7897
304
+ 2025-09-26 14:01:45,842 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 51/100 | Train Loss: 0.0286 | Val rms_score: 0.8050
305
+ 2025-09-26 14:01:57,946 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 52/100 | Train Loss: 0.0254 | Val rms_score: 0.7957
306
+ 2025-09-26 14:02:09,583 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 53/100 | Train Loss: 0.0286 | Val rms_score: 0.7975
307
+ 2025-09-26 14:02:20,675 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 54/100 | Train Loss: 0.0283 | Val rms_score: 0.7920
308
+ 2025-09-26 14:02:31,932 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 55/100 | Train Loss: 0.0266 | Val rms_score: 0.8093
309
+ 2025-09-26 14:02:43,264 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 56/100 | Train Loss: 0.0293 | Val rms_score: 0.8071
310
+ 2025-09-26 14:02:55,662 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 57/100 | Train Loss: 0.0255 | Val rms_score: 0.8098
311
+ 2025-09-26 14:03:07,465 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 58/100 | Train Loss: 0.0258 | Val rms_score: 0.7965
312
+ 2025-09-26 14:03:18,906 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 59/100 | Train Loss: 0.0259 | Val rms_score: 0.7953
313
+ 2025-09-26 14:03:30,069 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 60/100 | Train Loss: 0.0255 | Val rms_score: 0.7940
314
+ 2025-09-26 14:03:41,445 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 61/100 | Train Loss: 0.0241 | Val rms_score: 0.7907
315
+ 2025-09-26 14:03:53,675 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 62/100 | Train Loss: 0.0250 | Val rms_score: 0.7990
316
+ 2025-09-26 14:04:05,411 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 63/100 | Train Loss: 0.0254 | Val rms_score: 0.7980
317
+ 2025-09-26 14:04:17,098 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 64/100 | Train Loss: 0.0247 | Val rms_score: 0.8035
318
+ 2025-09-26 14:04:28,577 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 65/100 | Train Loss: 0.0252 | Val rms_score: 0.7890
319
+ 2025-09-26 14:04:40,184 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 66/100 | Train Loss: 0.0240 | Val rms_score: 0.7905
320
+ 2025-09-26 14:04:53,466 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 67/100 | Train Loss: 0.0251 | Val rms_score: 0.7953
321
+ 2025-09-26 14:05:05,887 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 68/100 | Train Loss: 0.0250 | Val rms_score: 0.7936
322
+ 2025-09-26 14:05:17,133 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 69/100 | Train Loss: 0.0195 | Val rms_score: 0.7970
323
+ 2025-09-26 14:05:28,715 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 70/100 | Train Loss: 0.0220 | Val rms_score: 0.7905
324
+ 2025-09-26 14:05:40,312 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 71/100 | Train Loss: 0.0222 | Val rms_score: 0.7910
325
+ 2025-09-26 14:05:52,811 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 72/100 | Train Loss: 0.0222 | Val rms_score: 0.7909
326
+ 2025-09-26 14:06:04,857 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 73/100 | Train Loss: 0.0226 | Val rms_score: 0.7909
327
+ 2025-09-26 14:06:16,273 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 74/100 | Train Loss: 0.0232 | Val rms_score: 0.8029
328
+ 2025-09-26 14:06:27,888 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 75/100 | Train Loss: 0.0227 | Val rms_score: 0.7907
329
+ 2025-09-26 14:06:39,350 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 76/100 | Train Loss: 0.0190 | Val rms_score: 0.7944
330
+ 2025-09-26 14:06:52,406 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 77/100 | Train Loss: 0.0214 | Val rms_score: 0.7922
331
+ 2025-09-26 14:07:04,740 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 78/100 | Train Loss: 0.0252 | Val rms_score: 0.8091
332
+ 2025-09-26 14:07:16,319 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 79/100 | Train Loss: 0.0208 | Val rms_score: 0.7971
333
+ 2025-09-26 14:07:28,256 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 80/100 | Train Loss: 0.0207 | Val rms_score: 0.7918
334
+ 2025-09-26 14:07:39,997 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 81/100 | Train Loss: 0.0214 | Val rms_score: 0.8010
335
+ 2025-09-26 14:07:52,977 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 82/100 | Train Loss: 0.0238 | Val rms_score: 0.7945
336
+ 2025-09-26 14:08:05,602 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 83/100 | Train Loss: 0.0209 | Val rms_score: 0.7887
337
+ 2025-09-26 14:08:17,233 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 84/100 | Train Loss: 0.0198 | Val rms_score: 0.7940
338
+ 2025-09-26 14:08:28,917 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 85/100 | Train Loss: 0.0259 | Val rms_score: 0.7906
339
+ 2025-09-26 14:08:40,689 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 86/100 | Train Loss: 0.0255 | Val rms_score: 0.7942
340
+ 2025-09-26 14:08:53,489 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 87/100 | Train Loss: 0.0197 | Val rms_score: 0.7925
341
+ 2025-09-26 14:09:05,691 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 88/100 | Train Loss: 0.0185 | Val rms_score: 0.7906
342
+ 2025-09-26 14:09:18,502 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 89/100 | Train Loss: 0.0210 | Val rms_score: 0.7905
343
+ 2025-09-26 14:09:31,269 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 90/100 | Train Loss: 0.0183 | Val rms_score: 0.7927
344
+ 2025-09-26 14:09:43,565 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 91/100 | Train Loss: 0.0210 | Val rms_score: 0.7911
345
+ 2025-09-26 14:09:55,914 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 92/100 | Train Loss: 0.0191 | Val rms_score: 0.7935
346
+ 2025-09-26 14:10:07,897 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 93/100 | Train Loss: 0.0193 | Val rms_score: 0.7933
347
+ 2025-09-26 14:10:19,031 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 94/100 | Train Loss: 0.0223 | Val rms_score: 0.7914
348
+ 2025-09-26 14:10:30,294 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 95/100 | Train Loss: 0.0213 | Val rms_score: 0.7915
349
+ 2025-09-26 14:10:41,693 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 96/100 | Train Loss: 0.0199 | Val rms_score: 0.7915
350
+ 2025-09-26 14:10:54,011 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 97/100 | Train Loss: 0.0194 | Val rms_score: 0.7933
351
+ 2025-09-26 14:11:05,573 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 98/100 | Train Loss: 0.0178 | Val rms_score: 0.7946
352
+ 2025-09-26 14:11:16,744 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 99/100 | Train Loss: 0.0227 | Val rms_score: 0.8005
353
+ 2025-09-26 14:11:27,825 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Epoch 100/100 | Train Loss: 0.0218 | Val rms_score: 0.7998
354
+ 2025-09-26 14:11:28,529 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Test rms_score: 0.8606
355
+ 2025-09-26 14:11:28,980 - logs_modchembert_astrazeneca_solubility_epochs100_batch_size32 - INFO - Final Triplicate Test Results — Avg rms_score: 0.8564, Std Dev: 0.0265