CrawfordGroup
Popular repositories Loading
Repositories
Showing 10 of 23 repositories
- pycc Public
PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
CrawfordGroup/pycc’s past year of commit activity - SoAPy Public
Package for simulating ROA and VCD spectra from explicit solvation protocols with geometries obtained from molecular dynamics trajectories. SOlvation Algorithm in Python (SoAPy).
CrawfordGroup/SoAPy’s past year of commit activity - MagPy Public
CrawfordGroup/MagPy’s past year of commit activity - Conformer_Generators Public
Bash scripts for generating conformations including through MD trajectories and OpenBabel.
CrawfordGroup/Conformer_Generators’s past year of commit activity - efpGamessPsi4 Public
CrawfordGroup/efpGamessPsi4’s past year of commit activity
Top languages
Loading…
Most used topics
Loading…