configs/preset/m_graph_dta.yaml

# @package _global_
defaults:
  - override /data/drug_featurizer: graph
  - override /data/protein_featurizer: label

model:
  predictor:
    _target_: deepscreen.models.predictors.m_graph_dta.MGraphDTA
    block_num: 3
    vocab_protein_size: ${eval:'len(${data.protein_featurizer.charset})+1'}
    embedding_size: 128
    filter_num: 32

data:
  drug_featurizer:
    atom_features:
      _target_: deepscreen.models.predictors.m_graph_dta.atom_features
      _partial_: true
  batch_size: 512

trainer:
  precision: 'bf16'