configs/preset/transformer_cpi.yaml

# @package _global_
defaults:
  - override /data/drug_featurizer: mol_features
  - override /data/protein_featurizer: word2vec

model:
  predictor:
    _target_: deepscreen.models.predictors.transformer_cpi.TransformerCPI
    protein_dim: 100
    hidden_dim: 64
    n_layers: 3
    kernel_size: 5
    dropout: 0.1
    n_heads: 8
    pf_dim: 256
    atom_dim: 34

data:
  batch_size: 16
  collator:
    automatic_padding: True