parsers and algorithms for computational chemistry


Keywords
computational-chemistry, hacktoberfest, python, quantum-chemistry
License
Other
Install
pip install cclib==1.8.1

Documentation

cclib

DOI PyPI version GitHub release build status license

cclib logo

cclib is a Python library that provides parsers for output files of computational chemistry packages. It also provides a platform for computational chemists to implement algorithms in a platform-independent way.

For more information, go to https://cclib.github.io. There is a mailing list for questions at https://groups.google.com/g/cclib.