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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 59 14

  2. mace mace Public

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

    Python 803 304

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 16 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 74 13

  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 40 12

Repositories

Showing 10 of 55 repositories
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    ACEsuit/EquivariantTensors.jl’s past year of commit activity
    Julia 5 MIT 0 6 3 Updated Jul 25, 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 803 304 50 32 Updated Jul 25, 2025
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 59 MIT 14 21 2 Updated Jul 24, 2025
  • ACEpsi.jl Public

    ACE wave function parameterizations

    ACEsuit/ACEpsi.jl’s past year of commit activity
    Julia 2 MIT 0 5 3 Updated Jul 24, 2025
  • ACEregistry Public

    Our registry for ACE Julia packages under development

    ACEsuit/ACEregistry’s past year of commit activity
    0 MIT 5 0 0 Updated Jul 23, 2025
  • ACEfit.jl Public

    Generic Codes for Fitting ACE models

    ACEsuit/ACEfit.jl’s past year of commit activity
    Julia 7 MIT 8 22 3 Updated Jul 23, 2025
  • mace-foundations Public

    MACE foundation models (MP, OMAT, Matpes)

    ACEsuit/mace-foundations’s past year of commit activity
    Shell 136 MIT 11 5 0 Updated Jul 1, 2025
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    ACEsuit/Polynomials4ML.jl’s past year of commit activity
    Julia 13 MIT 6 7 (2 issues need help) 1 Updated Jun 25, 2025
  • ChemBasisSets.jl Public

    Implementation of atomic basis sets for quantum chemistry and electronic structure

    ACEsuit/ChemBasisSets.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Jun 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 Jun 20, 2025
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