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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 56 13

  2. mace mace Public

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

    Python 667 260

  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 52 repositories
  • 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 667 260 56 30 Updated Apr 1, 2025
  • mace-foundations Public

    MACE-MP models

    ACEsuit/mace-foundations’s past year of commit activity
    Shell 87 MIT 10 3 0 Updated Mar 28, 2025
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    ACEsuit/Polynomials4ML.jl’s past year of commit activity
    Julia 13 MIT 5 18 (3 issues need help) 3 Updated Mar 25, 2025
  • WithAlloc.jl Public

    A simple Bumper convenience extension

    ACEsuit/WithAlloc.jl’s past year of commit activity
    Julia 6 MIT 0 3 0 Updated Mar 22, 2025
  • ACEregistry Public

    Our registry for ACE Julia packages under development

    ACEsuit/ACEregistry’s past year of commit activity
    0 MIT 4 0 0 Updated Mar 14, 2025
  • ACEfriction.jl Public

    Machine Learning Friction Tensors with ACE

    ACEsuit/ACEfriction.jl’s past year of commit activity
    Julia 1 MIT 3 0 1 Updated Mar 14, 2025
  • lammps Public Forked from lammps/lammps

    Public development project of the LAMMPS MD software package

    ACEsuit/lammps’s past year of commit activity
    C++ 1 GPL-2.0 1,800 0 1 Updated Feb 24, 2025
  • RepLieGroups.jl Public

    Representations of Lie Groups

    ACEsuit/RepLieGroups.jl’s past year of commit activity
    Julia 1 MIT 3 4 2 Updated Feb 20, 2025
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 56 MIT 13 23 2 Updated Feb 1, 2025
  • mace-off Public

    MACE-OFF23 models

    ACEsuit/mace-off’s past year of commit activity
    Shell 31 5 4 1 Updated Jan 29, 2025
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