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  1. rxnmapper rxnmapper Public

    Forked from rxn4chemistry/rxnmapper

    RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactio…

    Python

  2. smilite smilite Public

    Forked from rasbt/smilite

    A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database

    Python