Loading deepchem/splits/splitters.py +2 −2 Original line number Diff line number Diff line Loading @@ -1281,7 +1281,7 @@ def _split_fingerprints(fps: List, size1: int, # Begin by assigning the first molecule to the first group. fp_in_group = [[fps[0]], []] indices_in_group = [[0], []] indices_in_group: Tuple[List[int], List[int]] = ([0], []) remaining_fp = fps[1:] remaining_indices = list(range(1, len(fps))) max_similarity_to_group = [ Loading Loading @@ -1314,7 +1314,7 @@ def _split_fingerprints(fps: List, size1: int, max_similarity_to_group[1 - group], i) del remaining_fp[i] del remaining_indices[i] return tuple(indices_in_group) return indices_in_group class ScaffoldSplitter(Splitter): Loading Loading
deepchem/splits/splitters.py +2 −2 Original line number Diff line number Diff line Loading @@ -1281,7 +1281,7 @@ def _split_fingerprints(fps: List, size1: int, # Begin by assigning the first molecule to the first group. fp_in_group = [[fps[0]], []] indices_in_group = [[0], []] indices_in_group: Tuple[List[int], List[int]] = ([0], []) remaining_fp = fps[1:] remaining_indices = list(range(1, len(fps))) max_similarity_to_group = [ Loading Loading @@ -1314,7 +1314,7 @@ def _split_fingerprints(fps: List, size1: int, max_similarity_to_group[1 - group], i) del remaining_fp[i] del remaining_indices[i] return tuple(indices_in_group) return indices_in_group class ScaffoldSplitter(Splitter): Loading
