Open-source chemical file format conversion and molecular data processing tool.
Open Babel is an open-source chemistry toolbox supporting conversion between a large number of molecular file formats, along with molecular fingerprints, structure processing and chemical data manipulation. It suits cheminformatics, molecular data organisation, drug screening preprocessing and batch format conversion.
Use cases: chemical file conversion, molecular data processing, cheminformatics, batch conversion, drug screening data preparation
Note: Mostly used from the command line; GUI users can start by pairing it with Avogadro.
