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  1. ard_gsm ard_gsm Public

    Automated reaction discovery and dataset generation with the growing string method

    Python 14 4

  2. chemprop chemprop Public

    Forked from chemprop/chemprop

    Message Passing Neural Networks for Molecule Property Prediction

    HTML 5 2

  3. RMG-Py RMG-Py Public

    Forked from ReactionMechanismGenerator/RMG-Py

    Python version of the amazing Reaction Mechanism Generator (RMG).

    Python 1

  4. RMG-database RMG-database Public

    Forked from ReactionMechanismGenerator/RMG-database

    The database of chemical parameters used with Reaction Mechanism Generator

    Python 1

  5. bac bac Public

    Fit bond additivity corrections

    Python 1

  6. reacdiff reacdiff Public

    Learning reaction models in reaction-diffusion systems

    Python 1 1