- 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.
http://wiki.cubic.uni-koeln.de/dokuwiki/
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- 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.
http://www2.chemie.uni-erlangen.de/software/cactvs/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- Frowns
Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.
http://frowns.sourceforge.net/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- JChem
A Java based development tool for building portable chemical information systems.
http://www.jchem.com
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- 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.
http://www-ra.informatik.uni-tuebingen.de/software/joelib/index.html
(Added: Sat Apr 01 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- 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.
http://wwmm.ch.cam.ac.uk/moin/Jumbo4.6
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- Molecular Modelling Toolkit (MMTK)
Free library for molecular modeling applications. Written in Python, with a few portions in C. Downloads, examples, documentation, and wiki.
http://starship.python.net/crew/hinsen/MMTK/
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- OctetSource
Octet is a system of lightweight and interoperable molecular informatics components written in Java and released under Open Source Licenses. This site provides documentation, discussion, and news relating to Octet.
http://octetsource.net
(Added: Wed Apr 05 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- Open Babel
Open-source C++ library for molecule file conversion and pattern matching.
http://openbabel.sourceforge.net/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- PDB2VRML
Free Perl module for converting PDB files to VRML for 3D visualization.
http://www.realitydiluted.com/mirrors/reality.sgi.com/horstv_basel/pdb2vrml/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- pdb2vrml
Free C++ library for converting Protein Data Bank (PDB) files to Virtual Reality Modeling Language (VRML) worlds.
http://www.geocities.com/gnubioq/pdb2vrml/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- PerlMol
Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list.
http://www.perlmol.org/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- Software Development Lohninger
Software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry.
http://www.lohninger.com/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
- The Chemistry Development Kit
Open source Java computational chemistry package which supports chemical structure drawing and the graphical layout of 2D chemical structures.
http://cdk.sourceforge.net/
(Added: Thu Apr 06 2006 Rating: 0.00 Votes: 0)
Rate It
Review It
