Marcel

cmlkit. tools for machine learning in condensed matter physics and quantum chemistry

glp. tools for graph-based machine-learning potentials in jax

marathon. jax/flax training infrastructure

gkx. Green-Kubo + JAX + MLPs = Anharmonic Thermal Conductivities Done Fast

asax. ase + jax-md = asax

doctor-archive. my dissertation

simple-hf. Simple Hartree-Fock

octolog. the octopress setup powering lumenlog.com

podding. podding. just a mock-up...

gknet-archive. data and code for "heat flux for semi-local machine-learning potentials"

eqt-archive. data and code for "Probing the effects of broken symmetries in machine learning"

floq. FLOQ - A Python module for smooth robust quantum control

comms. python communications

renderables. build your own static site generator

macx. (m)ace + jax

glp-archive. data and code for "stress and heat flux via automatic differentiation"

schnetkit. [draft] tools for schnetpack

metatrain. Training and evaluating machine learning models for atomistic systems.

error-control-modelling. Material for the EPFL course MATH-500

specable. [draft] dictionaries to objects and vice versa

sirmarcel. profile

cscribe. cmlkit plugin for the dscribe package