CR cleanup (ebc10fe6) · Commits · 钟慕尧 / deepchem

examples/pdbbind/pdbbind_datasets.py

+0 −2

Original line number	Diff line number	Diff line
		@@ -12,7 +12,6 @@ import pandas as pd
		import shutil
		import time
		import re
		import json
		from rdkit import Chem
		import deepchem as dc

		@@ -55,7 +54,6 @@ def featurize_pdbbind(data_dir=None, feat="grid", subset="core"):
		tasks = ["-logKd/Ki"]
		current_dir = os.path.dirname(os.path.realpath(__file__))
		data_dir = os.path.join(current_dir, "%s_%s" % (subset, feat))
		print(data_dir)
		if os.path.exists(data_dir):
		return dc.data.DiskDataset(data_dir), tasks
		pdbbind_dir = os.path.join(current_dir, "v2015")