CrawfordGroup's repositories
ProgrammingProjects
C++ Programming Tutorial in Chemistry
Mixed-precision-CCSD
Modified CCSD python code with mixed-precision
Conformer_Generators
Bash scripts for generating conformations including through MD trajectories and OpenBabel.
Language:Jupyter Notebook000
eventre-hugo
Eventre-hugo website theme
SoAPy
Package for simulating ROA and VCD spectra from explicit solvation protocols with geometries obtained from molecular dynamics trajectories. SOlvation Algorithm in Python (SoAPy).
Language:ArcBSD-3-Clause000