FIX: incorrect index (1b5e9b48) · Commits · 钟慕尧 / deepchem

deepchem/feat/rdkit_grid_featurizer.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -1447,7 +1447,7 @@ class RdkitGridFeaturizer(ComplexFeaturizer):
		feature_tensor[voxel[0], voxel[1], voxel[2],
		hash_function(features, channel_power)] += 1.0
		else:
		feature_tensor[voxel[0], voxel[1], voxel[3], 0] += features
		feature_tensor[voxel[0], voxel[1], voxel[2], 0] += features
		elif feature_list is not None:
		for key in feature_list:
		voxels = get_voxels(coordinates, key, self.box_width, self.voxel_width)