Loading deepchem/molnet/load_function/uspto_datasets.py +3 −4 Original line number Diff line number Diff line Loading @@ -80,10 +80,9 @@ def load_uspto( """Load USPTO Datasets. USPTO is a dataset of over 1.8 Million organic chemical reactions extracted from US patents and patent applications. The reactions present in the dataset are split into the source(src) and target(tgt) columns. The src column contains the SMILES of the reactant and reagent molecules in the form reactant>reagent. The tgt contains the SMILES of the product molecules. from US patents and patent applications. The dataset contains the reactions in the form of reaction SMILES, which have the general form: reactant>reagent>product. Molnet provides ability to load subsets of the USPTO dataset namely MIT, STEREO and 50K. The MIT dataset contains around 479K reactions, curated by Loading Loading
deepchem/molnet/load_function/uspto_datasets.py +3 −4 Original line number Diff line number Diff line Loading @@ -80,10 +80,9 @@ def load_uspto( """Load USPTO Datasets. USPTO is a dataset of over 1.8 Million organic chemical reactions extracted from US patents and patent applications. The reactions present in the dataset are split into the source(src) and target(tgt) columns. The src column contains the SMILES of the reactant and reagent molecules in the form reactant>reagent. The tgt contains the SMILES of the product molecules. from US patents and patent applications. The dataset contains the reactions in the form of reaction SMILES, which have the general form: reactant>reagent>product. Molnet provides ability to load subsets of the USPTO dataset namely MIT, STEREO and 50K. The MIT dataset contains around 479K reactions, curated by Loading
