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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 78 20

  2. mace mace Public

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

    Python 1.4k 483

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 17 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 113 27

  5. EquivariantTensors.jl EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    Julia 9 4

  6. mace-tutorials mace-tutorials Public

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

    Jupyter Notebook 77 18

Repositories

Showing 10 of 62 repositories
  • 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 1,354 483 190 56 Updated Sep 21, 2026
  • ace-jax Public

    JAX port of ACE interatomic potentials: descriptor/energy evaluation, ASE calculator, and hybrid linear-ACE + inducing-point-GP fitting with a marginalised-hyperparameter UQ ladder.

    ACEsuit/ace-jax's past year of commit activity
    Python 2 MIT 0 0 0 Updated Sep 20, 2026
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl's past year of commit activity
    Julia 78 MIT 20 30 2 Updated Sep 19, 2026
  • AtomicOrbitalKernels.jl Public

    Fast, type-stable, GPU-ready atomic-orbital evaluation and overlap-integral kernels

    ACEsuit/AtomicOrbitalKernels.jl's past year of commit activity
    Julia 1 MIT 0 3 2 Updated Sep 17, 2026
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    ACEsuit/EquivariantTensors.jl's past year of commit activity
    Julia 9 MIT 4 11 7 Updated Sep 11, 2026
  • mace-tutorials Public

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

    ACEsuit/mace-tutorials's past year of commit activity
    Jupyter Notebook 77 MIT 18 0 1 Updated Sep 8, 2026
  • mace-foundations Public

    MACE foundation models (MP, OMAT, mh-1)

    ACEsuit/mace-foundations's past year of commit activity
    Shell 308 MIT 32 10 0 Updated Aug 26, 2026
  • mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    ACEsuit/mace-jax's past year of commit activity
    Python 113 27 6 3 Updated Aug 10, 2026
  • mace-scf Public

    electrostatic model sandbox based on the MACE MLIP architecture

    ACEsuit/mace-scf's past year of commit activity
    Python 37 MIT 10 0 4 Updated Aug 5, 2026
  • ACEoperators.jl Public

    Shared functionality and prototypes for ACE type equivariant operators

    ACEsuit/ACEoperators.jl's past year of commit activity
    Julia 0 MIT 0 0 3 Updated Jul 7, 2026
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