Johannes Gorges's repositories
crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
Language:FortranLGPL-3.0000
xtb
Semiempirical Extended Tight-Binding Program Package
Language:FortranLGPL-3.0000
crest-docs
https://crest-lab.github.io/crest-docs/
Language:SCSS000
QCxMS
Quantum mechanic mass spectrometry calculation program
Language:FortranLGPL-3.0000
Language:PythonCC-BY-SA-4.0000
PlotMS
Plot program for QCxMS spectrum plotting
Language:FortranLGPL-3.0000
gorges97
Config files for my GitHub profile.
000
molecularGSM
code for single-ended and double-ended molecular GSM
MIT000
dftd4
A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
LGPL-3.0000