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  1. forge forge Public

    FORGE (Flexible Optimizer for Rapid Generation and Exploration) to guide machine learning interatomic potential development.

    Jupyter Notebook 4 1

  2. mir-group/pair_nequip_allegro mir-group/pair_nequip_allegro Public

    LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials

    C++ 47 9

  3. torch-sim torch-sim Public

    Forked from Radical-AI/torch-sim

    Torch-native, batchable, atomistic simulation

    Python