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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 45 11

  2. mace mace Public

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

    Python 481 181

  3. Polynomials4ML.jl Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    Julia 12 5

  4. mace-jax mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 59 5

  5. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 12 7

  6. mace-layer mace-layer Public

    Higher order equivariant graph neural networks for 3D point clouds

    Python 33 8

Repositories

Showing 10 of 51 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 481 181 50 19 Updated Sep 19, 2024
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 45 MIT 11 19 2 Updated Sep 17, 2024
  • ACEregistry Public

    Our registry for ACE Julia packages under development

    ACEsuit/ACEregistry’s past year of commit activity
    0 MIT 4 0 0 Updated Sep 17, 2024
  • ACEfit.jl Public

    Generic Codes for Fitting ACE models

    ACEsuit/ACEfit.jl’s past year of commit activity
    Julia 7 MIT 6 22 3 Updated Sep 14, 2024
  • UltraFastACE.jl Public

    Experimenting with faster ACE potentials

    ACEsuit/UltraFastACE.jl’s past year of commit activity
    Julia 3 MIT 1 1 1 Updated Sep 13, 2024
  • Polynomials4ML.jl Public

    Polynomials for ML: fast evaluation, batching, differentiation

    ACEsuit/Polynomials4ML.jl’s past year of commit activity
    Julia 12 MIT 5 17 (3 issues need help) 2 Updated Sep 12, 2024
  • ACE1.jl Public

    Atomic Cluster Expansion for Modelling Invariant Atomic Properties

    ACEsuit/ACE1.jl’s past year of commit activity
    Julia 20 7 22 (3 issues need help) 0 Updated Sep 11, 2024
  • ACEmd.jl Public
    ACEsuit/ACEmd.jl’s past year of commit activity
    Julia 5 MIT 5 4 1 Updated Sep 11, 2024
  • GeomOpt.jl Public

    Geometry optimization interface

    ACEsuit/GeomOpt.jl’s past year of commit activity
    Julia 1 MIT 0 1 8 Updated Sep 4, 2024
  • EquivariantModels.jl Public

    Tools for geometric learning

    ACEsuit/EquivariantModels.jl’s past year of commit activity
    Julia 11 MIT 1 11 1 Updated Sep 3, 2024
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