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  1. RMG-Py RMG-Py Public

    Forked from ReactionMechanismGenerator/RMG-Py

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

    Python

  2. adlib adlib Public

    Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals

    Python 4 1

  3. RMG-database RMG-database Public

    Forked from ReactionMechanismGenerator/RMG-database

    The database of chemical parameters used with Reaction Mechanism Generator

    Python

  4. autoscience_workflow autoscience_workflow Public

    Autoscience Workflow 2.0

    Jupyter Notebook