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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 55 13

  2. mace mace Public

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

    Python 681 268

  3. Polynomials4ML.jl Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    Julia 13 5

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 72 9

  5. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 16 7

  6. mace-layer mace-layer Public

    Higher order equivariant graph neural networks for 3D point clouds

    Python 36 11

Repositories

Showing 10 of 53 repositories
  • RepLieGroups.jl Public

    Representations of Lie Groups

    ACEsuit/RepLieGroups.jl’s past year of commit activity
    Julia 1 MIT 3 4 2 Updated Apr 17, 2025
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    ACEsuit/Polynomials4ML.jl’s past year of commit activity
    Julia 13 MIT 5 15 (2 issues need help) 2 Updated Apr 17, 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 Apr 17, 2025
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 55 MIT 13 23 2 Updated Apr 17, 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 681 268 59 33 Updated Apr 17, 2025
  • UltraFastACE.jl Public

    Experimenting with faster ACE potentials

    ACEsuit/UltraFastACE.jl’s past year of commit activity
    Julia 3 MIT 2 1 1 Updated Apr 17, 2025
  • mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    ACEsuit/mace-jax’s past year of commit activity
    Python 72 9 3 1 Updated Apr 17, 2025
  • ACEmd.jl Public
    ACEsuit/ACEmd.jl’s past year of commit activity
    Julia 5 MIT 5 4 1 Updated Apr 15, 2025
  • ACE1.jl Public

    Atomic Cluster Expansion for Modelling Invariant Atomic Properties

    ACEsuit/ACE1.jl’s past year of commit activity
    Julia 22 7 22 (3 issues need help) 0 Updated Apr 15, 2025
  • ACEdensitymatrix Public

    A repository that contains the codes used for a density matrix learning project: https://arxiv.org/abs/2503.08400

    ACEsuit/ACEdensitymatrix’s past year of commit activity
    Julia 0 0 1 0 Updated Apr 14, 2025
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