mjwen / rxnrep Star 35 Code Issues Pull requests Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks. chemical-reactions graph-neural-networks contrastive-learning reaction-fingerprints reaction-classification Updated Aug 10, 2022 Python
schwallergroup / ReactionClassifier Star 24 Code Issues Pull requests Fast, lightweight reaction classification with high granularity cheminformatics organic-chemistry reaction-classification reaction-smiles cheminformatics-software Updated Jul 13, 2026 Python