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  1. mir-group/nequip mir-group/nequip Public

    NequIP is a code for building E(3)-equivariant interatomic potentials

    Python 891 208

  2. mir-group/allegro mir-group/allegro Public

    Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

    Python 472 72

  3. jax-md/jax-md jax-md/jax-md Public

    Differentiable, Hardware Accelerated, Molecular Dynamics

    Jupyter Notebook 1.4k 237

  4. e3nn/e3nn e3nn/e3nn Public

    A modular framework for neural networks with Euclidean symmetry

    Python 1.2k 180