Christoph Plett's repositories
crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
Language:FortranLGPL-3.0000
crest-docs
https://crest-lab.github.io/crest-docs/
Language:SCSS000
Language:Python000
tblite
Light-weight tight-binding framework
Language:FortranLGPL-3.0000
xtb
Semiempirical Extended Tight-Binding Program Package
Language:FortranLGPL-3.0000
Language:PythonCC-BY-SA-4.0000