Print Steam Tables; Plot diagrams and cycles from equations of state
Joint Density Functional Theory
Applications for data management
Theoretical Density, Orbital Relaxation and Exciton analysis
Easy manipulation of sdf molecular data files.
Massively parallel software for quantum chemistry calculations
PySCeS is the Python Simulator of Cellular Systems
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