Skip to content

rogerwq/openbabel

 
 

Repository files navigation

!!! Modified for Multithreading and Rust ffi

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 (removing plugins)

Resources

License

Code of conduct

Stars

Watchers

Forks

Packages

No packages published

Languages

  • C++ 62.4%
  • C 33.7%
  • Python 2.0%
  • SWIG 0.7%
  • CMake 0.6%
  • HTML 0.2%
  • Other 0.4%