CACTVS System
- http://www2.chemie.uni-erlangen.de/software/cactvs/
- A distributed client/server system for the computation, management, analysis and visualization of chemical information of any type. Tool collection for several Unix flavors; some of the tools are distributed freely in precompiled form.
Frowns
- http://frowns.sourceforge.net/
- Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.
JChem
- http://www.jchem.com
- A Java based development tool for building portable chemical information systems.
JOELib
- http://joelib.sourceforge.net
- Free Java computational chemistry library with support for file conversion, SMARTS substructure search, QSAR descriptor calculation, and process/filter methods for molecular data sets.
Jumbo
- http://wwmm.ch.cam.ac.uk/moin/Jumbo4.6
- Free kit for processing XML+CML in chemistry. Java 1.4 code, XSLT stylesheets, legacy converters and tools. Also includes tools for generating C++, Python and some F90/5 from the schema.
