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.

Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.

A Java based development tool for building portable chemical information systems.

Free Java computational chemistry library with support for file conversion, SMARTS substructure search, QSAR descriptor calculation, and process/filter methods for molecular data sets.

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.

Free library for molecular modeling applications. Written in Python, with a few portions in C. Downloads, examples, documentation, and wiki.

Open-source C++ library for molecule file conversion and pattern matching.

Free Perl module for converting PDB files to VRML for 3D visualization.

Free C++ library for converting Protein Data Bank (PDB) files to Virtual Reality Modeling Language (VRML) worlds.

Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list.

Software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry.

Open source Java computational chemistry package which supports chemical structure drawing and the graphical layout of 2D chemical structures.

Open-source, object oriented cheminformatics framework written in Java.