| Blue Obelisk: A group of chemists/programmers/informaticians who advocate the use of open source, open standards, and open data. Site includes a wiki, an algorithm dictionary, and a data repository for elements, isotopes, and aminoacids. |
| CACTVS System: 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: Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++. |
| JChem: A Java based development tool for building portable chemical information systems. |
| JOELib: 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: 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. |
| Molecular Modelling Toolkit (MMTK): Free library for molecular modeling applications. Written in Python, with a few portions in C. Downloads, examples, documentation, and wiki. |
| Open Babel: Open-source C++ library for molecule file conversion and pattern matching. |
| pdb2vrml: Free C++ library for converting Protein Data Bank (PDB) files to Virtual Reality Modeling Language (VRML) worlds. |
| PerlMol: Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list. |
| Software Development Lohninger: Software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry. |
| The Chemistry Development Kit: Open source Java computational chemistry package which supports chemical structure drawing and the graphical layout of 2D chemical structures. |
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