8000 xiaoruiDong (Xiaorui Dong) · GitHub
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Achievements

Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: Pull Sharkx3Achievement: StarstruckAchievement: YOLOAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: Pull Sharkx3Achievement: StarstruckAchievement: YOLOAchievement: Arctic Code Vault Contributor

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  1. RDMC RDMC Public

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

    Jupyter Notebook 26 1

  2. rxntp rxntp Public

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

    Python

  3. chemprop/chemprop chemprop/chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    Python 2k 630

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

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

    Python 444 238

  5. ReactionMechanismGenerator/RMG-database ReactionMechanismGenerator/RMG-database Public

    The database of chemical parameters used with Reaction Mechanism Generator

    Python 106 147

  6. ReactionMechanismGenerator/ARC ReactionMechanismGenerator/ARC Public

    ARC - Automatic Rate Calculator

    Python 45 23

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