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  1. HVAE HVAE Public

    Forked from smeznar/HVAE

    An approach for embedding hierarhical structures into a continuous vector space using variational autoencoders.

    Python

  2. 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