7fe6e64b7ff3ef7c0a060ccd3c702005e9458bbc,deepchem/datasets/pdbbind_datasets.py,,load_core_pdbbind_grid,#Any#Any#Any#,78

Before Change

    computed_feature = compute_pdbbind_grid_feature(
        compound_featurizers, complex_featurizers, pdb_subdir, pdb_code)
    if len(computed_feature) == 0:
      computed_feature = np.zeros(1024)
    features.append(computed_feature)
  X = np.vstack(features)
  w = np.ones_like(y)
   

After Change

        compound_featurizers, complex_featurizers, pdb_subdir, pdb_code)
    if feature_len is None:
      feature_len = len(computed_feature)
    if len(computed_feature) != feature_len:
      print("Featurization failed for %s!" % pdb_code)
      continue
    y_inds.append(ind)
    features.append(computed_feature)
  ////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// DEBUG
  print("[feature.shape for feature in features]")

Instances