Molecular dynamics by NMR data analysis
Generation of molecular formulas by high-resolution MS and MS/MS data
Print Steam Tables; Plot diagrams and cycles from equations of state
Generador de coordenadas atómicas de nanotubos armchair
Program for molecular graphics
PySCeS is the Python Simulator of Cellular Systems
Generating cells for electronic structure calculations from CIF files
Simulation of EPR spectra of nitroxide biradicals
A Python based command line math utility.
Create lipid-bilayer models of arbitrary geometry.
Weighted Implementation of Suboptimal Paths (WISP)
nwbas2ecce converts nwchem basis set files to the ECCE format
Calculates frequencies/modes from an nwchem generated hessian
A cross-platform interface for the *.mfj file format.
Isotopic pattern calculator in python 2.x
"aufbau" is a program that creates electron configuration of an atom.
Statistical thermodynamics package