rerun YAPF (afd68c43) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/uspto_datasets.py

+15 −14

Original line number	Diff line number	Diff line
		@@ -23,6 +23,7 @@ USPTO_FULL_URL = "https://deepchemdata.s3.us-west-1.amazonaws.com/datasets/USPTO

		USPTO_TASK = []


		class _USPTOLoader(_MolnetLoader):

		def __init__(self, args, subset: str, sep_reagent: bool, *kwargs):
		@@ -47,7 +48,9 @@ class _USPTOLoader(_MolnetLoader):
		if self.subset == 'FULL':
		dataset_url = USPTO_FULL_URL
		if self.splitter == 'SpecifiedSplitter':
		raise ValueError("There is no pre computed split for the full dataset, use a custom split instead!")
		raise ValueError(
		"There is no pre computed split for the full dataset, use a custom split instead!"
		)

		dataset_file = os.path.join(self.data_dir, self.name + '.csv')

		@@ -62,7 +65,8 @@ class _USPTOLoader(_MolnetLoader):


		def load_uspto(
		featurizer: Union[dc.feat.Featurizer, str] = dc.feat.UserDefinedFeaturizer([]), # This will be changed to dummy featurizer!
		featurizer: Union[dc.feat.Featurizer, str] = dc.feat.UserDefinedFeaturizer(
		[]), # This will be changed to dummy featurizer!
		splitter: Union[dc.splits.Splitter, str, None] = 'SpecifiedSplitter',
		transformers: List[Union[TransformerGenerator, str]] = [],
		reload: bool = True,
		@@ -149,10 +153,7 @@ def load_uspto(
		# if subset is Full use splitter passed by the user.
		# splitter = dc.splits.SpecifiedSplitter(valid_indices=,test_indices=)



		loader = _USPTOLoader(
		featurizer,
		loader = _USPTOLoader(featurizer,
		splitter,
		transformers,
		USPTO_TASK,