Pinned Repositories
ACE.jl
Parameterisation of Equivariant Properties of Particle Systems
ACE1.jl
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
ACEhamiltonians.jl
ACEpotentials.jl
Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
mace-jax
Equivariant machine learning interatomic potentials in JAX.
mace-layer
Higher order equivariant graph neural networks for 3D point clouds
mace-mp
MACE-MP models
mace-off
MACE-OFF23 models
Polynomials4ML.jl
Polynomials for ML: fast evaluation, batching, differentiation
ACEsuit's Repositories
ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
ACEsuit/mace-mp
MACE-MP models
ACEsuit/mace-jax
Equivariant machine learning interatomic potentials in JAX.
ACEsuit/ACE.jl
Parameterisation of Equivariant Properties of Particle Systems
ACEsuit/ACEpotentials.jl
Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
ACEsuit/mace-off
MACE-OFF23 models
ACEsuit/ACE1.jl
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
ACEsuit/ACEhamiltonians.jl
ACEsuit/Polynomials4ML.jl
Polynomials for ML: fast evaluation, batching, differentiation
ACEsuit/EquivariantModels.jl
Tools for geometric learning
ACEsuit/ACEfit.jl
Generic Codes for Fitting ACE models
ACEsuit/WithAlloc.jl
A simple Bumper convenience extension
ACEsuit/ACEds.jl
Coarse-grained dynamical systems
ACEsuit/ACEmd.jl
ACEsuit/ACE1x.jl
Experimental features for ACE1.jl
ACEsuit/UltraFastACE.jl
Experimenting with faster ACE potentials
ACEsuit/ACEpsi.jl
ACE wave function parameterizations
ACEsuit/DecoratedParticles.jl
ACEsuit/ACEfriction.jl
Machine Learning Friction Tensors with ACE
ACEsuit/ACEluxpots.jl
ACE potentials via EquivariantModels and Lux
ACEsuit/GeomOpt.jl
Geometry optimization interface
ACEsuit/lammps
Public development project of the LAMMPS MD software package
ACEsuit/mace-ocp
https://opencatalystproject.org/
ACEsuit/RepLieGroups.jl
Representations of Lie Groups
ACEsuit/ACEbonds.jl
Extension of ACE.jl to Atomic Bond Environments
ACEsuit/.github
ACEsuit/ACEbase.jl
Shared definitions for ACEsuit packages
ACEsuit/ACEhamiltonians_data
ACEsuit/ACEregistry
Our registry for ACE Julia packages under development
ACEsuit/ACEworkflows
Workflow Examples for ACE Models