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cmlkit
tools for machine learning in condensed matter physics and quantum chemistryglp
tools for graph-based machine-learning potentials in jaxasax
ase + jax-md = asaxgkx
Green-Kubo + JAX + MLPs = Anharmonic Thermal Conductivities Done Fastsimple-hf
Simple Hartree-Fockdoctor-archive
my dissertationfloq
FLOQ - A Python module for smooth robust quantum controlgknet-archive
data and code for "heat flux for semi-local machine-learning potentials"podding
podding. just a mock-up...comms
python communicationssirmarcel
profilespecable
[draft] dictionaries to objects and vice versamacx
(m)ace + jaxschnetkit
[draft] tools for schnetpackcscribe
cmlkit plugin for the dscribe packageglp-archive
data and code for "stress and heat flux via automatic differentiation"Love Open Source and this site? Check out how you can help us