config.json

{
  "edge_emb": {
    "bessels": {
      "bessel_const": 40.0,
      "d": 128
    },
    "d": 128,
    "edge_type_emb": {
      "d": 128,
      "dropout": 0.1,
      "max_res_offset": 32,
      "max_sym_offset": 2
    },
    "k_for_knn": 30
  },
  "eqnet": {
    "attn_dropout": 0,
    "d": 128,
    "d_mult": 3,
    "dropout": 0.1,
    "n_head": 4
  },
  "n_eqnet": 12,
  "node_emb": {
    "d": 128,
    "dropout": 0.1,
    "mask_node_type": true,
    "n_chain_type": 100,
    "n_node_type": 200
  },
  "quantize": {
    "decay": 0.99,
    "dim": 384,
    "eps": 1e-05,
    "n_embed": 512,
    "normalize": true,
    "restart": 100,
    "usage_threshold": 1e-09
  }
}