Skip to content

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

License

Notifications You must be signed in to change notification settings

makesoftwaresafe/openbabel

 
 

Repository files navigation

Open Babel

GitHub release Download Open Babel Travis CI Google Scholar Citations

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

  • Ready-to-use programs, and complete programmer's toolkit
  • Read, write and convert over 90 chemical file formats
  • Filter and search molecular files using SMARTS and other methods
  • Generate 2D and 3D coordinates for SMILES, InChI and other formats
  • Supports molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry...

Open Babel is distributed under the GNU General Public License (GPL). This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License. Full details can be found in the file "COPYING" which should be included in your distribution.

For more information, check the Open Babel website.

About

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Resources

License

Code of conduct

Stars

Watchers

Forks

Packages

No packages published

Languages

  • C++ 63.8%
  • C 32.4%
  • Python 2.0%
  • SWIG 0.6%
  • CMake 0.6%
  • HTML 0.2%
  • Other 0.4%