Unverified Commit 73b052c3 authored by Daiki Nishikawa's avatar Daiki Nishikawa Committed by GitHub
Browse files

Merge pull request #2165 from nd-02110114/fix-bug-2 

Fix notebooks
parents e64a6e0f 44ab2517

deepchem/molnet/load_function/pdbbind_datasets.py

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Original line number Diff line number Diff line
@@ -124,7 +124,6 @@ def load_pdbbind_grid(split="random", 
        'index': deepchem.splits.IndexSplitter(),

        'random': deepchem.splits.RandomSplitter(),

        'scaffold': deepchem.splits.ScaffoldSplitter(),

        'time': deepchem.splits.TimeSplitterPDBbind(np.array(df['id']))

    }

    splitter = splitters[split]

    logger.info("About to split dataset with {} splitter.".format(split))

examples/tutorials/06_Going_Deeper_on_Molecular_Featurizations.ipynb

+357 −191

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