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@ReactionMechanismGenerator

Reaction Mechanism Generator

Developers of Reaction Mechanism Generator and associated software.

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  1. RMG-Py RMG-Py Public

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

    Python 446 238

  2. ARC ARC Public

    ARC - Automatic Rate Calculator

    Python 45 23

  3. ReactionMechanismSimulator.jl ReactionMechanismSimulator.jl Public

    The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

    Jupyter Notebook 79 34

  4. AutoTST AutoTST Public

    AutoTST: A framework to perform automated transition state theory calculations

    Python 38 16

  5. T3 T3 Public

    The Tandem Tool (T3) for automated chemical kinetic model development

    Python 14 6

  6. pyrms pyrms Public

    Python wrapper for the ReactionMechanismSimulator

    Python 3 4

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