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-layer
Higher order equivariant graph neural networks for 3D point clouds
ACEsuit/ObjectPools.jl
thread-safe and flexible temporary arrays and object cache for semi-manual memory management
ACEsuit/ACEHAL
ACEsuit/ACEhamiltoniansExamples
Example code for the ACEhamiltonians code-base.
ACEsuit/IPFitting.jl
Fitting of NBodyIPs
ACEsuit/ACEatoms.jl
Generic code for modelling atomic properties using ACE
ACEsuit/ACEcore.jl
Some of the core computational kernels for building ACE models
ACEsuit/ACEsktb.jl
experimental code for tight-binding hamiltonians
ACEsuit/BIPs.jl
Boost-Invariant Polynomials for jet tagging
ACEsuit/ace.cpp
Experimental C++ routines for the ACE basis
ACEsuit/ACE1pack.jl
A complete pack of cards, all aces
ACEsuit/ACEcalculator.jl
Evaluate ACE interatomic potentials and interfaces
ACEsuit/ACEdocs_old
Documentaton for ACEsuit
ACEsuit/HyperActiveLearning.jl
An accelerate dynamics stragety for collecting training data.
ACEsuit/ACEexperimental.jl
Experimental ACE.jl codes
ACEsuit/ACEflux.jl
ACEsuit/ACEData
ACEsuit/ACEexamples
Some examples of ACE usage that go beyond basic documentation.
ACEsuit/ACEinterfaces
ACEsuit/acesuit.github.io
Website and docs
ACEsuit/Attention.jl
Basic but flexible attention layers
ACEsuit/lammps-user-pace