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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.jl ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    Julia 57 14

  2. mace mace Public

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

    Python 763 286

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 16 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 73 11

  5. EquivariantTensors.jl EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    Julia 5

  6. mace-layer mace-layer Public

    Higher order equivariant graph neural networks for 3D point clouds

    Python 39 12

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