openbabel: Python interface to the Open Babel chemistry library
The Open Babel package provides a Python wrapper to the Open Babel C++ chemistry library. 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. It provides a broad base of chemical functionality for custom development.