Unverified Commit 315deb82 authored by Karl Leswing's avatar Karl Leswing Committed by GitHub
Browse files

Merge pull request #1164 from n3011/master 

Fix syntax error and featurizer name
parents 686e9699 c316d998

deepchem/feat/graph_features.py

+2 −2
Original line number Diff line number Diff line
@@ -198,8 +198,8 @@ def bond_features(bond, use_chirality=False): 
  ]

  if use_chirality:

    bond_feats = bond_feats + one_of_k_encoding_unk(

        str(bond.GetStereo(),

            ["STEREONONE", "STEREOANY", "STEREOZ", "STEREOE"]))

        str(bond.GetStereo()),

        ["STEREONONE", "STEREOANY", "STEREOZ", "STEREOE"])

  return np.array(bond_feats)

examples/tox21/tox21_graphcnn.py

+2 −1
Original line number Diff line number Diff line
@@ -19,7 +19,8 @@ from deepchem.models.tensorgraph.models.graph_models import PetroskiSuchTensorGr 
model_dir = "/tmp/graph_conv"



# Load Tox21 dataset

tox21_tasks, tox21_datasets, transformers = load_tox21(featurizer='AdjMatrix')

tox21_tasks, tox21_datasets, transformers = load_tox21(

    featurizer='AdjacencyConv')

train_dataset, valid_dataset, test_dataset = tox21_datasets

print(train_dataset.data_dir)

print(valid_dataset.data_dir)

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