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    1. nepxnepxPublic

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

      Python 5

    2. For_gpumdFor_gpumdPublic

      Some examples of GPUMD

      Python 24 2

    3. NEP-waterNEP-waterPublic

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

      Python 12 2

    4. KeNoteKeNotePublic

      Some records in the process of learning molecular dynamics

      Python