Open Babel

This repository is an open resource of test files in various chemical file formats. All have been made available either under the GNU General Public License (GPL) or a Creative Commons license which permits reuse and distribution (with attribution).

Importantly these files can be used for testing import/export routines in many chemical programs, not just Open Babel. By providing such a resource, we hope that developers of chemical software will minimize bugs when translating chemical and molecular data between different file formats and different representations. Additionally, we hope to encourage the community of chemical software developers to support open, well-defined file formats to facilitate interconversion and collaboration in the chemical sciences.