/INDEEDopt

An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.

Primary LanguagePythonMIT LicenseMIT

INDEEDopt: INitial DEsign Enhanced Deep learning OPTimization framework for high dimensional ReaxFF force field parameterization

UPDATES

Recent update to some subroutines due to Tensorflow Deep Learning library updates (Feb 2021)