Blue Obelisk «
http://wiki.cubic.uni-koeln.de/dokuwiki/ | | 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 «
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. |
Open Babel «
http://openbabel.sourceforge.net/ | | Open-source c++ library for molecule file conversion and pattern matching. |
pdb2vrml «
http://www.geocities.com/gnubioq/pdb2vrml/ | | Free c++ library for converting protein data bank (pdb) files to virtual reality modeling language (vrml) worlds. |
PerlMol «
http://www.perlmol.org/ | | Free perl modules for molecular chemistry. tutorial , reference manual , downloads and mailing list. |
Software Development Lohninger «
http://www.lohninger.com/ | | Software and programming components for delphi and c++builder covering mathematics , statistics , scientific graphing , and chemistry. |
The Chemistry Development Kit «
http://cdk.sourceforge.net/ | | Open source java computational chemistry package which supports chemical structure drawing and the graphical layout of 2d chemical structures. |
