Pinned Repositories
so3lr
SO3krates and Universal Pairwise Force Field for Molecular Simulation
orbax
Orbax provides common checkpointing and persistence utilities for JAX users
macx
(m)ace + jax
arpack-ng
Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
e3nn_intro
geomatt
macx
(m)ace + jax
mlff
Build neural networks for machine learning force fields with JAX
netket
Machine learning algorithms for many-body quantum systems
pyconnect
Software for producing disconnectivity and metric disconnectivity graphs, and for calculating the principal components of chemical systems.
thorben-frank's Repositories
thorben-frank/mlff
Build neural networks for machine learning force fields with JAX
thorben-frank/geomatt
thorben-frank/arpack-ng
Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
thorben-frank/e3nn_intro
thorben-frank/macx
(m)ace + jax
thorben-frank/netket
Machine learning algorithms for many-body quantum systems
thorben-frank/pyconnect
Software for producing disconnectivity and metric disconnectivity graphs, and for calculating the principal components of chemical systems.