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reactiondatabase
reactiondatabase PublicA database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
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templatecorr
templatecorr PublicHierarchical template correction for chemical reactions
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chemprop-atom-bond
chemprop-atom-bond PublicForked from yanfeiguan/chemprop-atom-bond
Message Passing Neural Networks for Atomic/Bond Property Prediction
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