Molecular dynamics by NMR data analysis
General purpose de novo molecular design software
SMSD is a Java based software library for calculating MCS.
A biochemical property prediction system
Open-Source Cheminformatics and Machine Learning
MolTPC provides a solution for fully automatic tautomer enumeration.
structural clustering of atomic trajectories based on PIV
Balance chemical reaction and compute material balance
HTML5 program for drawing and editting molecular structures
Massively Parallel Quantum Chemistry program