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.
Least-squares fit of amylopectin chain-length distribution
Isotopic pattern calculator in python 2.x
Timer to ease your film development processes
Simple Molecular Interaction Potential Generator in Python
Statistical thermodynamics package