Toxicity prediction for chemical compounds
General purpose de novo molecular design software
chemical viewer
An Open Source "product catalogue" that is customizable and versatile.
user-friendly access to the latest computational spectroscopy tools
Software for Introductory Chemical Engineering Thermodynamics
Exploring chemical similarity
(Q)SAR Model Reporting Format Inventory
Generating cells for electronic structure calculations from CIF files
SMSD is a Java based software library for calculating MCS.
OpenGrowth is a program which constructs de novo ligands for proteins.