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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. rdcanon rdcanon Public

    Forked from coleygroup/rdcanon

    SMARTS sanitization

    Jupyter Notebook 1

  3. what_do_mol_prop_look_like what_do_mol_prop_look_like Public

    Forked from ljmartin/what_do_mol_prop_look_like

    What do molecular properties look like?

    HTML