Massively Parallel Quantum Chemistry program
Parallelized calculation of molecular similarities
A universal chemistry database system, using Java and any rdbms
Information System "Supercritical Fluid Extraction"
Protein NMR backbone resonance assignment
An open-source quantum chemistry program package
ISL Solid-Liquid Equilibrium Calculator
nwbas2ecce converts nwchem basis set files to the ECCE format
acquire fluid properties from the NIST Chemistry WebBook
Microemulsion Decision Support System
Isotopic pattern calculator in python 2.x
A library to compute the electron and chemical kinetics on plasmas
Pharmacochemical database of natural substances
A C library to handle compositional (=closed) data, like proportions.