Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

2008445 citationsJournal Articlegold Open Access

Authors

Noel M. O’Boyle · University of Cambridge

Geoffrey Hutchison · University of Pittsburgh

Abstract

Pybel allows cheminformaticians to rapidly develop Python scripts that manipulate chemical information. It is open source, available cross-platform, and offers the power of the OpenBabel toolkit to Python programmers.

Topics & Keywords

Software Engineering Research Machine Learning in Materials Science Protein Structure and Dynamics

UN Sustainable Development Goals

Quality Education

Publication Details

Published in: Chemistry Central Journal

Volume 2, Issue 1, pp. 5-5

DOI: 10.1186/1752-153x-2-5

Field-Weighted Citation Impact: 33.64