configs/preset/bacpi.yaml.bak

# @package _global_
model:
  predictor:
    _target_: deepscreen.models.predictors.bacpi.BACPI

    n_atom: 20480
    n_amino: 8448
    comp_dim: 80
    prot_dim: 80
    latent_dim: 80
    gat_dim: 50
    num_head: 3
    dropout: 0.1
    alpha: 0.1
    window: 5
    layer_cnn: 3
  optimizer:
    lr: 5e-4

data:
  batch_size: 16

  collator:
    automatic_padding: True

  drug_featurizer:
    _target_: deepscreen.models.predictors.bacpi.drug_featurizer
    _partial_: true
    radius: 2

  protein_featurizer:
    _target_: deepscreen.models.predictors.bacpi.split_sequence
    _partial_: true
    ngram: 3
#  collator:
#    _target_: deepscreen.models.predictors.transformer_cpi_2.pack
#    _partial_: true