/ocelot_api

Primary LanguagePythonMIT LicenseMIT

GitHub

API for conjugate organic molecules.

Current doc is available here.

If you use OCELOT API, please cite the following:

  • Ai, Q.; Bhat, V.; Ryno, S. M.; Jarolimek, K.; Sornberger, P.; Smith, A.; Haley, M. M.; Anthony, J. E.; Risko, C., OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors. The Journal of Chemical Physics 2021, 154 (17), 174705 link