Open Babel - the chemistry toolbox#
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 110 chemical file formats
Filter and search molecular files using SMARTS and other methods
Supports molecular modeling, cheminformatics, bioinformatics
Organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry
Downloaded over 700,000 times and used by over 40 related projects
How to cite Open Babel: The Open Babel and Pybel papers