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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 18

  2. mace mace Public

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

    Python 1k 370

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 17 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 83 19

  5. EquivariantTensors.jl EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    Julia 8 1

  6. mace-tutorials mace-tutorials Public

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

    Jupyter Notebook 51 14

Repositories

Showing 10 of 57 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 1,022 370 77 36 Updated Jan 27, 2026
  • mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    ACEsuit/mace-jax’s past year of commit activity
    Python 83 19 4 3 Updated Jan 27, 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 51 MIT 14 0 0 Updated Jan 22, 2026
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    ACEsuit/EquivariantTensors.jl’s past year of commit activity
    Julia 8 MIT 1 9 3 Updated Jan 16, 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 18 28 1 Updated Jan 6, 2026
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    ACEsuit/Polynomials4ML.jl’s past year of commit activity
    Julia 13 MIT 7 9 (2 issues need help) 0 Updated Dec 29, 2025
  • DecoratedParticles.jl Public
    ACEsuit/DecoratedParticles.jl’s past year of commit activity
    Julia 2 MIT 0 3 0 Updated Dec 27, 2025
  • ACEbase.jl Public

    Shared definitions for ACEsuit packages

    ACEsuit/ACEbase.jl’s past year of commit activity
    Julia 0 3 1 0 Updated Dec 23, 2025
  • ACEfit.jl Public

    Generic Codes for Fitting ACE models

    ACEsuit/ACEfit.jl’s past year of commit activity
    Julia 7 MIT 9 23 3 Updated Dec 3, 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
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