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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 49 13

  2. mace mace Public

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

    Python 516 195

  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 61 5

  5. ACEhamiltonians.jl ACEhamiltonians.jl Public

    Julia 13 7

  6. mace-layer mace-layer Public

    Higher order equivariant graph neural networks for 3D point clouds

    Python 32 8

Repositories

Showing 10 of 51 repositories
  • ACEds.jl Public

    Coarse-grained dynamical systems

    ACEsuit/ACEds.jl’s past year of commit activity
    Julia 5 MIT 1 0 10 Updated Oct 29, 2024
  • 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 516 195 47 22 Updated Oct 29, 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 1,721 0 1 Updated Oct 28, 2024
  • ACEpotentials.jl Public

    Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

    ACEsuit/ACEpotentials.jl’s past year of commit activity
    Julia 49 MIT 13 22 2 Updated Oct 22, 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 Oct 22, 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 Oct 22, 2024
  • GeomOpt.jl Public

    Geometry optimization interface

    ACEsuit/GeomOpt.jl’s past year of commit activity
    Julia 1 MIT 0 1 2 Updated Oct 19, 2024
  • ACEhamiltonians.jl Public
    ACEsuit/ACEhamiltonians.jl’s past year of commit activity
    Julia 13 7 2 1 Updated Oct 14, 2024
  • ACEbase.jl Public

    Shared definitions for ACEsuit packages

    ACEsuit/ACEbase.jl’s past year of commit activity
    Julia 0 3 3 0 Updated Oct 13, 2024
  • ACEfit.jl Public

    Generic Codes for Fitting ACE models

    ACEsuit/ACEfit.jl’s past year of commit activity
    Julia 7 MIT 7 22 3 Updated Sep 14, 2024
View all repositories

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