update loader (73b3648a) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/molnet_loader.py

+1 −0

Original line number	Diff line number	Diff line
		@@ -170,6 +170,7 @@ class _MolnetLoader(object):
		save_folder)
		if all_dataset is not None:
		return self.tasks, all_dataset, transformers

		# Create the dataset

		logger.info("About to featurize %s dataset." % name)

+2 −5

Original line number	Diff line number	Diff line
		@@ -68,13 +68,13 @@ class _USPTOLoader(_MolnetLoader):

		def load_uspto(
		featurizer: Union[dc.feat.Featurizer, str] = dc.feat.DummyFeaturizer(),
		splitter: Union[dc.splits.Splitter, str, None] = 'SpecifiedSplitter',
		splitter: Union[dc.splits.Splitter, str, None] = None,
		transformers: List[Union[TransformerGenerator, str]] = [],
		reload: bool = True,
		data_dir: Optional[str] = None,
		save_dir: Optional[str] = None,
		subset: str = "MIT",
		sep_reagent: bool = True,
		sep_reagent: bool = True, # functionality to be added!
		**kwargs
		) -> Tuple[List[str], Tuple[Dataset, ...], List[dc.trans.Transformer]]:
		"""Load USPTO Datasets.
		@@ -150,9 +150,6 @@ def load_uspto(
		Retrosynthesis prediction with conditional graph logic network.
		arXiv preprint arXiv:2001.01408.
		"""
		# get test and valid lists if subset is MIT, 50K, STEREO and splitter = specified.
		# if subset is Full use splitter passed by the user.
		# splitter = dc.splits.SpecifiedSplitter(valid_indices=,test_indices=)

		loader = _USPTOLoader(
		featurizer,