Generation of molecular formulas by high-resolution MS and MS/MS data
Program for molecular graphics
Print Steam Tables; Plot diagrams and cycles from equations of state
ECTk - The electrochemical tool kit
Simulation of EPR spectra of nitroxide biradicals
PYthon eXtension for Ab Initio Dynamics
An open-source quantum chemistry program package
"aufbau" is a program that creates electron configuration of an atom.
Statistical thermodynamics package