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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 Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    Julia 55 13

  2. mace Public

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

    Python 688 268

  3. ACEhamiltonians.jl Public

    Julia 16 7

  4. mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 72 9

  5. Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    Julia 13 5

  6. mace-layer Public

    Higher order equivariant graph neural networks for 3D point clouds

    Python 36 11

Repositories

Showing 10 of 54 repositories
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    Julia 13 MIT 5 11 (2 issues need help) 2 Updated Apr 23, 2025
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    Julia 0 MIT 0 3 2 Updated Apr 22, 2025
  • mace Public

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

    Python 688 268 59 34 Updated Apr 22, 2025
  • RepLieGroups.jl Public

    Representations of Lie Groups

    Julia 1 MIT 3 4 1 Updated Apr 19, 2025
  • ACEregistry Public

    Our registry for ACE Julia packages under development

    0 MIT 5 0 0 Updated Apr 19, 2025
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    Julia 55 MIT 13 22 2 Updated Apr 17, 2025
  • UltraFastACE.jl Public

    Experimenting with faster ACE potentials

    Julia 3 MIT 2 1 1 Updated Apr 17, 2025
  • mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 72 9 3 1 Updated Apr 17, 2025
  • ACEmd.jl Public
    Julia 5 MIT 5 4 1 Updated Apr 15, 2025
  • ACE1.jl Public

    Atomic Cluster Expansion for Modelling Invariant Atomic Properties

    Julia 22 7 22 (3 issues need help) 0 Updated Apr 15, 2025
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