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@ACEsuit

ACEsuit

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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 64 18

  2. mace mace Public

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

    Python 957 355

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 17 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 80 17

  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 45 13

Repositories

Showing 10 of 56 repositories
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    ACEsuit/EquivariantTensors.jl’s past year of commit activity
    Julia 5 MIT 0 11 2 Updated Dec 3, 2025
  • mace Public

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

    ACEsuit/mace’s past year of commit activity
    Python 957 355 62 31 Updated Dec 1, 2025
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 64 MIT 18 22 2 Updated Nov 29, 2025
  • WithAlloc.jl Public

    A simple Bumper convenience extension

    ACEsuit/WithAlloc.jl’s past year of commit activity
    Julia 8 MIT 0 3 0 Updated Nov 26, 2025
  • GeomOpt.jl Public

    Geometry optimization interface

    ACEsuit/GeomOpt.jl’s past year of commit activity
    Julia 1 MIT 1 1 1 Updated Nov 24, 2025
  • mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    ACEsuit/mace-jax’s past year of commit activity
    Python 80 17 3 2 Updated Nov 22, 2025
  • ACEpsi.jl Public

    ACE wave function parameterizations

    ACEsuit/ACEpsi.jl’s past year of commit activity
    Julia 3 MIT 0 5 2 Updated Nov 21, 2025
  • mace-foundations Public

    MACE foundation models (MP, OMAT, Matpes)

    ACEsuit/mace-foundations’s past year of commit activity
    Shell 173 MIT 16 3 0 Updated Nov 19, 2025
  • ACEdensitymatrix Public

    A repository that contains the codes used for a density matrix learning project: https://arxiv.org/abs/2503.08400

    ACEsuit/ACEdensitymatrix’s past year of commit activity
    Julia 1 0 0 0 Updated Nov 7, 2025
  • ACEfriction.jl Public

    Machine Learning Friction Tensors with ACE

    ACEsuit/ACEfriction.jl’s past year of commit activity
    Julia 2 MIT 3 0 0 Updated Oct 30, 2025
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