yapf (acbaf643) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/tox21_datasets.py

+2 −1

Original line number	Diff line number	Diff line
		@@ -42,7 +42,8 @@ def load_tox21(featurizer='ECFP', split='index', reload=True, K=4):
		elif featurizer == 'Raw':
		featurizer = deepchem.feat.RawFeaturizer()
		elif featurizer == 'AdjacencyConv':
		featurizer = deepchem.feat.AdjacencyFingerprint(max_n_atoms=150, max_valence=6)
		featurizer = deepchem.feat.AdjacencyFingerprint(
		max_n_atoms=150, max_valence=6)

		loader = deepchem.data.CSVLoader(
		tasks=tox21_tasks, smiles_field="smiles", featurizer=featurizer)