aligfellow's repositories
GoodVibes
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Language:PythonMIT000
pyDFTD3
Python version of Grimme's D3-dispersion correction for Gaussian input/output
Language:PythonMIT000
pyQRC
Quick Reaction Coordinate using Python
Language:PythonMIT000
v
A simple X11 molecular viewer
Language:CMIT000