Package Name | Access | Summary | Updated |
---|---|---|---|
pyqrc | public | A python program to project computed structures along computed normal modes and perform a Quick Reaction Coordinate calculation | 2023-06-16 |
pyxstruct | public | Scrape Geometric X-ray Data from the Cambridge Structural Database | 2023-06-16 |
goodvibes | public | Calculates corrections for calculation output files with temperature and haptic corrections | 2023-06-16 |