Updating loaded file naming as per suggesting from lilleswing (40e0dda7) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/pcba_datasets.py

+2 −2

Original line number	Diff line number	Diff line
		@@ -34,8 +34,8 @@ def load_pcba(featurizer='ECFP', split='random', reload=True):
		elif featurizer == 'Raw':
		featurizer = deepchem.feat.RawFeaturizer()

		with gzip.GzipFile(dataset_file, "r") as file:
		header = file.readline().rstrip().decode("utf-8")
		with gzip.GzipFile(dataset_file, "r") as fin:
		header = fin.readline().rstrip().decode("utf-8")
		columns = header.split(",")
		columns.remove("mol_id")
		columns.remove("smiles")