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    • Tools to Build Equivariant Tensors
      Julia
      MIT License
      2893Updated Mar 11, 2026Mar 11, 2026
    • A simple Bumper convenience extension
      Julia
      MIT License
      0830Updated Mar 11, 2026Mar 11, 2026
    • mace

      Public
      MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
      Python
      Other
      4001.1k8642Updated Mar 7, 2026Mar 7, 2026
    • Machine Learning Friction Tensors with ACE
      Julia
      MIT License
      3200Updated Mar 3, 2026Mar 3, 2026
    • MACE foundation models (MP, OMAT, mh-1)
      Shell
      MIT License
      2221330Updated Feb 23, 2026Feb 23, 2026
    • mace-jax

      Public
      Equivariant machine learning interatomic potentials in JAX.
      Python
      228952Updated Feb 10, 2026Feb 10, 2026
    • Collection of tutorials to use the MACE machine learning force field.
      Jupyter Notebook
      MIT License
      145400Updated Jan 22, 2026Jan 22, 2026
    • Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
      Julia
      MIT License
      1869281Updated Jan 6, 2026Jan 6, 2026
    • Polynomials for ML: fast evaluation, batching, differentiation
      Julia
      MIT License
      71490Updated Dec 29, 2025Dec 29, 2025
    • Julia
      MIT License
      0230Updated Dec 27, 2025Dec 27, 2025
    • Shared definitions for ACEsuit packages
      Julia
      3010Updated Dec 23, 2025Dec 23, 2025
    • ACEfit.jl

      Public
      Generic Codes for Fitting ACE models
      Julia
      MIT License
      98233Updated Dec 3, 2025Dec 3, 2025
    • Geometry optimization interface
      Julia
      MIT License
      1111Updated Nov 24, 2025Nov 24, 2025
    • ACEpsi.jl

      Public
      ACE wave function parameterizations
      Julia
      MIT License
      0352Updated Nov 21, 2025Nov 21, 2025
    • A repository that contains the codes used for a density matrix learning project: https://arxiv.org/abs/2503.08400
      Julia
      0200Updated Nov 7, 2025Nov 7, 2025
    • Our registry for ACE Julia packages under development
      MIT License
      5000Updated Oct 4, 2025Oct 4, 2025
    • Minimal ACE implementation exclusively used as a temporary backend of ACEfriction.jl. The package is a combination of reduced versions of the ACE.jl and ACEbond…
      Julia
      0000Updated Oct 4, 2025Oct 4, 2025
    • Tools for geometric learning
      Julia
      MIT License
      212120Updated Sep 26, 2025Sep 26, 2025
    • Extension of ACE.jl to Atomic Bond Environments
      Julia
      MIT License
      1010Updated Sep 26, 2025Sep 26, 2025
    • Representations of Lie Groups
      Julia
      MIT License
      3151Updated Sep 22, 2025Sep 22, 2025
    • lammps

      Public
      Public development project of the LAMMPS MD software package
      C++
      GNU General Public License v2.0
      1.9k402Updated Sep 18, 2025Sep 18, 2025
    • Julia
      Other
      71721Updated Sep 17, 2025Sep 17, 2025
    • Implementation of atomic basis sets for quantum chemistry and electronic structure
      Julia
      MIT License
      0000Updated Jun 23, 2025Jun 23, 2025
    • Experimenting with faster ACE potentials
      Julia
      MIT License
      3311Updated Apr 17, 2025Apr 17, 2025
    • ACEmd.jl

      Public
      Julia
      MIT License
      5541Updated Apr 15, 2025Apr 15, 2025
    • ACE1.jl

      Public
      Atomic Cluster Expansion for Modelling Invariant Atomic Properties
      Julia
      723220Updated Apr 15, 2025Apr 15, 2025
    • mace-off

      Public
      MACE-OFF23 models
      Shell
      Other
      86061Updated Jan 29, 2025Jan 29, 2025
    • ACE.jl

      Public
      Parameterisation of Equivariant Properties of Particle Systems
      Julia
      1467241Updated Dec 17, 2024Dec 17, 2024
    • ACEds.jl

      Public
      Coarse-grained dynamical systems
      Julia
      MIT License
      15010Updated Nov 4, 2024Nov 4, 2024
    • ACE1x.jl

      Public
      Experimental features for ACE1.jl
      Julia
      4310Updated Jul 31, 2024Jul 31, 2024