add mixed training to loader (03bde69a) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/uspto_datasets.py

+7 −2

Original line number	Diff line number	Diff line
		@@ -72,7 +72,7 @@ def load_uspto(
		data_dir: Optional[str] = None,
		save_dir: Optional[str] = None,
		subset: str = "MIT",
		sep_reagent: bool = True, # functionality to be added!
		sep_reagent: bool = False,
		**kwargs
		) -> Tuple[List[str], Tuple[Dataset, ...], List[dc.trans.Transformer]]:
		"""Load USPTO Datasets.
		@@ -148,6 +148,11 @@ def load_uspto(
		arXiv preprint arXiv:2001.01408.
		"""

		if sep_reagent:
		transformers = [TransformerGenerator(dc.trans.RxnSplitTransformer, sep_reagent=True)]
		else:
		transformers = [TransformerGenerator(dc.trans.RxnSplitTransformer, sep_reagent=False)]

		loader = _USPTOLoader(
		featurizer,
		splitter,