YangshuaiWang's repositories
ACEfit.jl
Generic Codes for Fitting ACE models
Language:JuliaMIT000
EquivariantModels.jl
Tools for geometric learning
Language:JuliaMIT000
IPFitting.jl
Fitting of NBodyIPs
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Language:Jupyter NotebookApache-2.0000
JuLIPMaterials.jl
Collection of Tools for Computational Materials Science
NOASSERTION000
mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
000
opencatalysis
https://opencatalystproject.org/
Language:Python000
Polynomials4ML.jl
Polynomials for ML: fast evaluation, batching, differentiation
Language:JuliaMIT000