Easy manipulation of sdf molecular data files.
PySCeS is the Python Simulator of Cellular Systems
Massively parallel software for quantum chemistry calculations
Large-scale Atomic/Molecular Massively Parallel Simulator
Toxicity prediction for chemical compounds
General purpose de novo molecular design software
An Open Source "product catalogue" that is customizable and versatile.
NMR Product Operator Calculator
Libraries and scripts for molecular modelling written in Perl
Biomolecular electrostatics software
A web database for experimental results of research