ACEsuit/ACEHAL ACEsuit/ACEHAL

  • Stars
    star
    11
  • Rank 1,694,829 (Top 34 %)
  • Language
    Python
  • Created over 1 year ago
  • Updated about 1 year ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
ACEsuit/ACEHAL
github

ACEsuit

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

More Repositories

1

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Python
501
star
2

ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
Julia
65
star
3

mace-jax

Equivariant machine learning interatomic potentials in JAX.
Python
57
star
4

ACEpotentials.jl

Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
Julia
46
star
5

mace-mp

MACE-MP models
Shell
40
star
6

mace-layer

Higher order equivariant graph neural networks for 3D point clouds
Python
32
star
7

ACE1.jl

Atomic Cluster Expansion for Modelling Invariant Atomic Properties
Julia
20
star
8

mace-off

MACE-OFF23 models
Shell
19
star
9

ObjectPools.jl

thread-safe and flexible temporary arrays and object cache for semi-manual memory management
Julia
13
star
10

ACEhamiltonians.jl

Julia
12
star
11

Polynomials4ML.jl

Polynomials for ML: fast evaluation, batching, differentiation
Julia
12
star
12

EquivariantModels.jl

Tools for geometric learning
Julia
11
star
13

ACEfit.jl

Generic Codes for Fitting ACE models
Julia
7
star
14

ACEhamiltoniansExamples

Example code for the ACEhamiltonians code-base.
Jupyter Notebook
6
star
15

IPFitting.jl

Fitting of NBodyIPs
Julia
5
star
16

ACEds.jl

Coarse-grained dynamical systems
Julia
5
star
17

ACEmd.jl

Julia
5
star
18

UltraFastACE.jl

Experimenting with faster ACE potentials
Julia
3
star
19

ACE1x.jl

Experimental features for ACE1.jl
Julia
3
star
20

ACE1docs.jl

User Documentation for ACEsuit
Jupyter Notebook
3
star
21

ACEpsi.jl

ACE wave function parameterizations
Julia
2
star
22

BIPs.jl

Boost-Invariant Polynomials for jet tagging
Julia
2
star
23

ACEsktb.jl

experimental code for tight-binding hamiltonians
Julia
2
star
24

ACEcore.jl

Some of the core computational kernels for building ACE models
Julia
2
star
25

ACEatoms.jl

Generic code for modelling atomic properties using ACE
Julia
2
star
26

DecoratedParticles.jl

Julia
2
star
27

GeomOpt.jl

Geometry optimization interface
Julia
1
star
28

HyperActiveLearning.jl

An accelerate dynamics stragety for collecting training data.
Julia
1
star
29

ACEcalculator.jl

Evaluate ACE interatomic potentials and interfaces
1
star
30

ACEdocs_old

Documentaton for ACEsuit
Julia
1
star
31

WithAlloc.jl

A simple Bumper convenience extension
Julia
1
star
32

ACEluxpots.jl

ACE potentials via EquivariantModels and Lux
Julia
1
star
33

RepLieGroups.jl

Representations of Lie Groups
Julia
1
star
34

ace.cpp

Experimental C++ routines for the ACE basis
1
star