configs/preset/coa_dti_pro.yaml.bak

# @package _global_
defaults:
  - override /data/protein_featurizer: none

model:
  predictor:
    _target_: deepscreen.models.predictors.coa_dti_pro.CoaDTIPro

    n_fingerprint: 20480
    n_word: 26
    dim: 512
    layer_output: 3
    layer_coa: 1
    nhead: 8
    dropout: 0.1
    co_attention: 'inter'
    gcn_pooling: False

    esm_model_and_alphabet:
      _target_: esm.pretrained.load_model_and_alphabet
      model_name: resources/models/esm/esm1_t6_43M_UR50S.pt

data:
  drug_featurizer:
    _target_: deepscreen.models.predictors.coa_dti_pro.drug_featurizer
    _partial_: true
    radius: 2
  batch_size: 1