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  1. CGNEP CGNEP Public

    Contains supplementary data and code for CGNEP for coarse-grained graphene. The CGNEP is constructed by modifying the descriptor of NEP, and the training and MD calculating are based on GPUMD with …

    Jupyter Notebook 1

  2. deepmd-kit deepmd-kit Public

    Forked from deepmodeling/deepmd-kit

    A deep learning package for many-body potential energy representation and molecular dynamics

    C++