Merge pull request #661 from lilleswing/660-pdb_rf (b148e8ad) · Commits · 钟慕尧 / deepchem

examples/pdbbind/pdbbind_datasets.py

+1 −2

Original line number	Diff line number	Diff line
		@@ -185,8 +185,7 @@ def compute_pdbbind_features(grid_featurizer, pdb_subdir, pdb_code):
		return features


		def load_pdbbind_grid(split="index", featurizer="atomic_conv",
		subset="refined"):
		def load_pdbbind_grid(split="index", featurizer="grid", subset="core"):
		"""Load PDBBind datasets. Does not do train/test split"""
		dataset, tasks = featurize_pdbbind(feat=featurizer, subset=subset)
		dataset.w