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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 69 19

  2. mace mace Public

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

    Python 1.1k 403

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 17 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 90 22

  5. EquivariantTensors.jl EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    Julia 8 2

  6. mace-tutorials mace-tutorials Public

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

    Jupyter Notebook 54 14

Repositories

Showing 10 of 57 repositories
  • ACEfit.jl Public

    Generic Codes for Fitting ACE models

    ACEsuit/ACEfit.jl’s past year of commit activity
    Julia 8 MIT 9 23 3 Updated Mar 19, 2026
  • 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 1,109 402 88 43 Updated Mar 16, 2026
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    ACEsuit/EquivariantTensors.jl’s past year of commit activity
    Julia 8 MIT 2 9 3 Updated Mar 11, 2026
  • WithAlloc.jl Public

    A simple Bumper convenience extension

    ACEsuit/WithAlloc.jl’s past year of commit activity
    Julia 8 MIT 0 3 0 Updated Mar 11, 2026
  • 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 Mar 4, 2026
  • mace-foundations Public

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

    ACEsuit/mace-foundations’s past year of commit activity
    Shell 215 MIT 22 3 0 Updated Feb 23, 2026
  • mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    ACEsuit/mace-jax’s past year of commit activity
    Python 90 22 5 2 Updated Feb 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 54 MIT 14 0 0 Updated Jan 22, 2026
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 69 MIT 19 28 1 Updated Jan 7, 2026
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    ACEsuit/Polynomials4ML.jl’s past year of commit activity
    Julia 14 MIT 7 9 (2 issues need help) 0 Updated Dec 30, 2025
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