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  • MIT

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Achievements

Achievement: Pair ExtraordinaireAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor
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Pinned

  1. ReactionMechanismGenerator/RMG-Py ReactionMechanismGenerator/RMG-Py Public

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

    Python 369 225

  2. ReactionMechanismGenerator/ReactionMechanismSimulator.jl ReactionMechanismGenerator/ReactionMechanismSimulator.jl Public

    The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

    Jupyter Notebook 69 33

  3. QuantumPioneer/AutoQM QuantumPioneer/AutoQM Public

    Python

  4. ChemicalCalculator ChemicalCalculator Public

    Chemical calculator

    Jupyter Notebook

  5. PolymerFoulingModeling PolymerFoulingModeling Public

    A collection of scripts used for generating and simulating multi-phase chemical kinetic models for polymer fouling

    Python

  6. chemprop/chemprop chemprop/chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    Python 1.6k 545