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@ACEsuit

ACEsuit

README.md

The ACEsuit github org collects various software packages, both mature and experimental, surrounding the atomic cluster expansion and related models.

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  1. ACEpotentials.jlACEpotentials.jlPublic

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    Julia 77 20

  2. macemacePublic

    MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

    Python 1.3k 466

  3. ACEhamiltonians.jlACEhamiltonians.jlPublic

    Julia 17 7

  4. mace-jaxmace-jaxPublic

    Equivariant machine learning interatomic potentials in JAX.

    Python 109 25

  5. EquivariantTensors.jlEquivariantTensors.jlPublic

    Tools to Build Equivariant Tensors

    Julia 9 4

  6. mace-tutorialsmace-tutorialsPublic

    Collection of tutorials to use the MACE machine learning force field.

    Jupyter Notebook 71 17

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