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Achievement: YOLOAchievement: Pull Shark

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@SUNCAT-Center

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  1. molecular_simulation molecular_simulation Public

    MD and Monte Carlo simulations

    C

  2. data_structure_algo data_structure_algo Public

    data structure and algorithm

    Python 1

  3. mpcd mpcd Public

    Multi Particles Collision Dynamics Simulations

    C++

  4. SUNCAT-Center/AutoCatLab SUNCAT-Center/AutoCatLab Public

    Python library which seamlessly perform high-throughput DFT + ICOHP calculations along with all data analysis which is config Driven

    Python