Repositories
ACEsuit/RepLieGroups.jl
Representations of Lie Groups
ACEsuit/GeomOpt.jl
Geometry optimization interface
ACEsuit/ACEpsi.jl
ACE wave function parameterizations
ACEsuit/ChemBasisSets.jl
Implementation of atomic basis sets for quantum chemistry and electronic structure
ACEsuit/UltraFastACE.jl
Experimenting with faster ACE potentials
ACEsuit/ACEmd.jl
ACEsuit/ACEbonds.jl
Extension of ACE.jl to Atomic Bond Environments
ACEsuit/ACEds.jl
Coarse-grained dynamical systems
ACEsuit/ACE1pack.jl
A complete pack of cards, all aces
ACEsuit/IPFitting.jl
Fitting of NBodyIPs
ACEsuit/ACEdocs_old
Documentaton for ACEsuit
ACEsuit/ACE1x.jl
Experimental features for ACE1.jl
ACEsuit/ACEhamiltoniansExamples
Example code for the ACEhamiltonians code-base.
ACEsuit/ACEhamiltonians_data
ACEsuit/ACEluxpots.jl
ACE potentials via EquivariantModels and Lux
ACEsuit/ACEcore.jl
Some of the core computational kernels for building ACE models
ACEsuit/ACEworkflows
Workflow Examples for ACE Models
ACEsuit/ACEData
ACEsuit/Attention.jl
Basic but flexible attention layers
ACEsuit/ACEcalculator.jl
Evaluate ACE interatomic potentials and interfaces
ACEsuit/ACEexamples
Some examples of ACE usage that go beyond basic documentation.
ACEsuit/ACEatoms.jl
Generic code for modelling atomic properties using ACE
ACEsuit/lammps-user-pace
ACEsuit/BIPs.jl
Boost-Invariant Polynomials for jet tagging
ACEsuit/HyperActiveLearning.jl
An accelerate dynamics stragety for collecting training data.
ACEsuit/.github
ACEsuit/acesuit.github.io
Website and docs