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Achievement: StarstruckAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor
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Pinned

  1. RDMC RDMC Public

    Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.

    Jupyter Notebook 20

  2. rxntp rxntp Public

    RXNTP is a lightweight package for analyzing chemical reaction templates written in Python.

    Python

  3. conformer_generation conformer_generation Public

    A module with expertise in molecular and transition state conformer generation

    Python

  4. ReactionMechanismGenerator/RMG-Py ReactionMechanismGenerator/RMG-Py Public

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

    Python 372 225

  5. ReactionMechanismGenerator/RMG-website ReactionMechanismGenerator/RMG-website Public

    A Django-powered website for Reaction Mechanism Generator (RMG)

    Python 20 29

  6. ReactionMechanismGenerator/ARC ReactionMechanismGenerator/ARC Public

    ARC - Automatic Rate Calculator

    Python 42 21