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Hou Group @ Tsinghua SIGS

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  1. mdgo mdgo Public

    A codebase for classical molecular dynamics (MD) simulation setup and results analysis.

    Python 24 17

  2. InterOptimus InterOptimus Public

    High-throughput simulation for crystalline interfaces

    Jupyter Notebook 1 1

  3. mlipdockers mlipdockers Public

    Request to docker containers in which the python enviroments for different machine learning potential usages are implemented. Using this package, one can get the predicted potential energy for any …

    Python 1

  4. resnap-ase-calc resnap-ase-calc Public

    Python

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  • mlipdockers Public

    Request to docker containers in which the python enviroments for different machine learning potential usages are implemented. Using this package, one can get the predicted potential energy for any structure using any MLIP without needing to change python environments.

    HouGroup/mlipdockers’s past year of commit activity
    Python 1 0 0 0 Updated Dec 20, 2024
  • InterOptimus Public

    High-throughput simulation for crystalline interfaces

    HouGroup/InterOptimus’s past year of commit activity
    Jupyter Notebook 1 MIT 1 0 0 Updated Dec 20, 2024
  • resnap-ase-calc Public
    HouGroup/resnap-ase-calc’s past year of commit activity
    Python 0 0 0 0 Updated Apr 3, 2024
  • mdgo Public

    A codebase for classical molecular dynamics (MD) simulation setup and results analysis.

    HouGroup/mdgo’s past year of commit activity
    Python 24 17 2 1 Updated Feb 5, 2024

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