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  1. CUDA-Programming CUDA-Programming Public

    Sample codes for my CUDA programming book

    Cuda 1.6k 327

  2. GPUMD GPUMD Public

    Graphics Processing Units Molecular Dynamics

    Cuda 484 121

  3. bigd4/PyNEP bigd4/PyNEP Public

    A python interface of NEP

    C++ 49 17

  4. gpuqt gpuqt Public

    A CUDA-implementation of linear-scaling quantum transport methods

    Cuda 26 11

  5. Molecular-Dynamics-Simulation Molecular-Dynamics-Simulation Public

    Sample codes for my book on molecular dynamics simulation

    Jupyter Notebook 185 53

  6. NEP_CPU NEP_CPU Public

    CPU version of NEP

    C++ 54 19