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Minor Fixes
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vsomnath committed Jun 14, 2019
1 parent f1f9412 commit 2a33962
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Showing 2 changed files with 7 additions and 0 deletions.
6 changes: 6 additions & 0 deletions deepchem/molnet/load_function/bace_datasets.py
Original file line number Diff line number Diff line change
Expand Up @@ -147,6 +147,12 @@ def load_bace_classification(featurizer='ECFP', split='random', reload=True):

return bace_tasks, (dataset, None, None), transformers

splitters = {
'index': deepchem.splits.IndexSplitter(),
'random': deepchem.splits.RandomSplitter(),
'scaffold': deepchem.splits.ScaffoldSplitter()
}

splitter = splitters[split]
logger.info("About to split data using {} splitter".format(split))
train, valid, test = splitter.train_valid_test_split(dataset)
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1 change: 1 addition & 0 deletions deepchem/molnet/load_function/bbbc_datasets.py
Original file line number Diff line number Diff line change
Expand Up @@ -139,6 +139,7 @@ def load_bbbc002(split='index', reload=True):

logger.info("About to split dataset with {} splitter.".format(split))
train, valid, test = splitter.train_valid_test_split(dataset)
all_dataset = (train, valid, test)
transformers = []
if reload:
deepchem.utils.save.save_dataset_to_disk(save_dir, train, valid, test,
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