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  1. KPSo_et_al_2021MRL KPSo_et_al_2021MRL Public

    GIthub Repository for KPSo et. al Paper in 2021

    Jupyter Notebook

  2. materialsvirtuallab/matgl materialsvirtuallab/matgl Public

    Graph deep learning library for materials

    Python 274 64

  3. CederGroupHub/chgnet CederGroupHub/chgnet Public

    Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

    Python 249 66

  4. mir-group/pair_allegro mir-group/pair_allegro Public

    LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support

    C++ 35 8