solves nonlinear Kohn-Sham equation for the neutral atom.
Simulation of EPR spectra of nitroxide biradicals
Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
An application to count bacterial colonies and other circular objects
Data Processing and Analysis for X-ray Spectroscopy and More
A pipeline for quantitative proteomics based upon isobaric tags
A toolkit for developing and deploying protein structure algorithms.
Tools for reformatting common sequence formats into fasta
nwbas2ecce converts nwchem basis set files to the ECCE format
A cross-platform interface for the *.mfj file format.
Eclipse plugin for Stochastic Pi Machine
RMol: Transforming SD/Molfile structure information into R Objects
python command line utility to print xyz-geometry to eps file format.