README.org

December 5, 2022 ยท View on GitHub

Tools to build charge density models using [[https://github.com/Open-Catalyst-Project/ocp][ocpmodels]]

Many important ideas are taken from [[https://github.com/peterbjorgensen/DeepDFT][DeepDFT]]. Historically, much of the code was also borrowed from this repository, but that is no longer the case.