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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 62 15

  2. mace mace Public

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

    Python 877 330

  3. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 17 7

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 75 16

  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 44 12

Repositories

Showing 10 of 55 repositories
  • lammps Public Forked from lammps/lammps

    Public development project of the LAMMPS MD software package

    ACEsuit/lammps’s past year of commit activity
    C++ 3 GPL-2.0 1,882 0 2 Updated Sep 18, 2025
  • EquivariantModels.jl Public

    Tools for geometric learning

    ACEsuit/EquivariantModels.jl’s past year of commit activity
    Julia 11 MIT 2 12 1 Updated Sep 18, 2025
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 62 MIT 15 22 3 Updated Sep 17, 2025
  • ACEhamiltonians.jl Public
    ACEsuit/ACEhamiltonians.jl’s past year of commit activity
    Julia 17 7 2 1 Updated Sep 17, 2025
  • EquivariantTensors.jl Public

    Tools to Build Equivariant Tensors

    ACEsuit/EquivariantTensors.jl’s past year of commit activity
    Julia 5 MIT 0 6 2 Updated Sep 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 877 330 45 28 Updated Sep 17, 2025
  • mace-foundations Public

    MACE foundation models (MP, OMAT, Matpes)

    ACEsuit/mace-foundations’s past year of commit activity
    Shell 147 MIT 11 3 0 Updated Sep 12, 2025
  • ACEpsi.jl Public

    ACE wave function parameterizations

    ACEsuit/ACEpsi.jl’s past year of commit activity
    Julia 3 MIT 0 5 3 Updated Sep 1, 2025
  • GeomOpt.jl Public

    Geometry optimization interface

    ACEsuit/GeomOpt.jl’s past year of commit activity
    Julia 1 MIT 1 1 0 Updated Aug 18, 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 Aug 13, 2025
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