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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 65 18

  2. mace mace Public

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

    Python 990 360

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 17 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 81 17

  5. EquivariantTensors.jl EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    Julia 7 1

  6. mace-layer mace-layer Public

    Higher order equivariant graph neural networks for 3D point clouds

    Python 46 13

Repositories

Showing 10 of 56 repositories
  • mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    ACEsuit/mace-jax’s past year of commit activity
    Python 81 17 3 2 Updated Dec 29, 2025
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    ACEsuit/EquivariantTensors.jl’s past year of commit activity
    Julia 7 MIT 1 11 1 Updated Dec 28, 2025
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 65 MIT 18 24 4 Updated Dec 28, 2025
  • DecoratedParticles.jl Public
    ACEsuit/DecoratedParticles.jl’s past year of commit activity
    Julia 2 MIT 0 3 0 Updated Dec 27, 2025
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    ACEsuit/Polynomials4ML.jl’s past year of commit activity
    Julia 13 MIT 6 9 (2 issues need help) 0 Updated Dec 23, 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
  • 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 990 360 73 35 Updated Dec 18, 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 25, 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
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