Fix hopv_datasets customize featurizer input. (999bcfbe) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/hopv_datasets.py

+3 −3

Original line number	Diff line number	Diff line
		@@ -32,14 +32,14 @@ def load_hopv(featurizer='ECFP', split='index'):
		'J_SC', 'fill_factor'
		]
		if featurizer == 'ECFP':
		featurizer_func = deepchem.feat.CircularFingerprint(size=1024)
		featurizer = deepchem.feat.CircularFingerprint(size=1024)
		elif featurizer == 'GraphConv':
		featurizer_func = deepchem.feat.ConvMolFeaturizer()
		featurizer = deepchem.feat.ConvMolFeaturizer()
		elif featurizer == 'Raw':
		featurizer = deepchem.feat.RawFeaturizer()

		loader = deepchem.data.CSVLoader(
		tasks=hopv_tasks, smiles_field="smiles", featurizer=featurizer_func)
		tasks=hopv_tasks, smiles_field="smiles", featurizer=featurizer)
		dataset = loader.featurize(dataset_file, shard_size=8192)

		# Initialize transformers