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  1. GPUMD-Wizard GPUMD-Wizard Public

    Material structure processing software based on ASE (Atomic Simulation Environment)

    Jupyter Notebook 42 3

  2. brucefan1983/GPUMD brucefan1983/GPUMD Public

    Graphics Processing Units Molecular Dynamics

    Cuda 472 117

  3. bigd4/PyNEP bigd4/PyNEP Public

    A python interface of NEP

    C++ 49 17

  4. brucefan1983/NEP_CPU brucefan1983/NEP_CPU Public

    CPU version of NEP

    C++ 51 17