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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 51 13

  2. mace mace Public

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

    Python 569 212

  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 64 5

  5. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 15 7

  6. mace-layer mace-layer Public

    Higher order equivariant graph neural networks for 3D point clouds

    Python 33 9

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 569 212 43 25 Updated Dec 11, 2024
  • RepLieGroups.jl Public

    Representations of Lie Groups

    ACEsuit/RepLieGroups.jl’s past year of commit activity
    Julia 1 MIT 2 4 2 Updated Dec 9, 2024
  • 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 1,745 0 1 Updated Dec 5, 2024
  • ACEhamiltonians.jl Public
    ACEsuit/ACEhamiltonians.jl’s past year of commit activity
    Julia 15 7 2 1 Updated Dec 2, 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 Nov 30, 2024
  • ACE.jl Public

    Parameterisation of Equivariant Properties of Particle Systems

    ACEsuit/ACE.jl’s past year of commit activity
    Julia 65 15 24 (1 issue needs help) 1 Updated Nov 29, 2024
  • ACEfriction.jl Public

    Machine Learning Friction Tensors with ACE

    ACEsuit/ACEfriction.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Nov 28, 2024
  • ACEbonds.jl Public

    Extension of ACE.jl to Atomic Bond Environments

    ACEsuit/ACEbonds.jl’s past year of commit activity
    Julia 0 MIT 1 1 0 Updated Nov 29, 2024
  • GeomOpt.jl Public

    Geometry optimization interface

    ACEsuit/GeomOpt.jl’s past year of commit activity
    Julia 1 MIT 1 1 1 Updated Nov 22, 2024
  • mace-mp Public

    MACE-MP models

    ACEsuit/mace-mp’s past year of commit activity
    Shell 53 MIT 9 1 0 Updated Nov 15, 2024
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