Approximate solvation free energy calculator
Molecular dynamics by NMR data analysis
A Raman spectra library with search and storage function.
Generation of molecular formulas by high-resolution MS and MS/MS data
Print Steam Tables; Plot diagrams and cycles from equations of state
Theoretical Density, Orbital Relaxation and Exciton analysis
Massively parallel software for quantum chemistry calculations
General purpose de novo molecular design software
An Open Source "product catalogue" that is customizable and versatile.
Libraries and scripts for molecular modelling written in Perl
Biomolecular electrostatics software
SMSD is a Java based software library for calculating MCS.
Modern library for chemistry file reading and writing
Collaborative Computing Project for NMR (CCPN)