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  1. nepx nepx Public

    A tools to process the outputdata from NEP, include the MD part from GPUMD. NEPX, x is everything.

    Python 4

  2. For_gpumd For_gpumd Public

    Some examples of GPUMD

    Python 22 2

  3. NEP-water NEP-water Public

    Examples of nep-water potential functions, including NEP training procedures and GPUMD molecular dynamics, etc.

    Python 8

  4. KeNote KeNote Public

    Some records in the process of learning molecular dynamics

    Python