Fixing one of broken tests. Couple more remain. (1eb99723) · Commits · 钟慕尧 / deepchem

deepchem/utils/save.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -64,7 +64,7 @@ def load_sdf_files(input_files):
		dataframes = []
		for input_file in input_files:
		# Tasks are stored in .sdf.csv file
		raw_df = load_csv_file(input_file+".csv", shard_size=None).next()
		raw_df = load_csv_files([input_file+".csv"], shard_size=None).next()
		# Structures are stored in .sdf file
		print("Reading structures from %s." % input_file)
		suppl = Chem.SDMolSupplier(str(input_file), removeHs=False)

+2 −6

Original line number	Diff line number	Diff line
		@@ -25,16 +25,12 @@ np.random.seed(123)
		reload = False
		verbosity = "high"

		base_data_dir = "nci_data_dir"
		base_dir = "nci_analysis_dir"
		base_data_dir = "/scratch/users/rbharath/nci_data_dir"
		base_dir = "/scratch/users/rbharath/nci_analysis_dir"

		nci_tasks, dataset, transformers = load_nci(
		base_data_dir, reload=reload)
		print("len(dataset)")
		print(len(dataset))

		#base_dir = "/scratch/users/rbharath/muv_analysis"
		#base_dir = "/home/apappu/deepchem/examples/nci/"
		if os.path.exists(base_dir):
		shutil.rmtree(base_dir)
		if not os.path.exists(base_dir):