10 projects
pet-jax
Clean JAX/Flax implementation of uPET interatomic potentials
lorem-jax
LOREM: an equivariant long-range machine learning interatomic potential in JAX
marathon-train
experimental tooling for training machine learning interatomic potentials in jax
jax-pme
(Particle Mesh) Ewald summation in JAX
opsis
nice and simple command line output
torch-spex
computing spherical expansions with pytorch
specable
dictionaries to objects and vice versa
mdyx
molecular dynamics with jax
cmlkit
Machine learning tools for computational chemistry and condensed matter physics
cscribe
cmlkit plugin for the dscribe package
