Massively Parallel Quantum Chemistry program
Parallelized calculation of molecular similarities
Niah supports k-anonymity statistical disclosure control assessments
Convert drl files to g code
TML is a Java Library for LSA and extracting Concept Maps from text
Command line helpers for Conexp files.
Protein NMR backbone resonance assignment
An open-source quantum chemistry program package
approximate Bayesian computation for stochastic differential equations
ISL Solid-Liquid Equilibrium Calculator
nwbas2ecce converts nwchem basis set files to the ECCE format
Gplot provides a convenient front-end for gnuplot