diff --git a/README.md b/README.md index 0936084..6a786bc 100644 --- a/README.md +++ b/README.md @@ -81,9 +81,13 @@ $ tox - J. Peter Guthrie (University of Western Ontario) ### Other contributors -- David L. Mobley, UC Irvine, who maintains this repository +- David L. Mobley, UC Irvine, who maintains this repository with help from the community +- Charles T. Hoyt, who helped with CI and data integrity tests - Probably students and others who worked with Dr. Guthrie over the years, but I (DLM) do not have their information +## Changelog +- 2021-12-20: Added CI testing to ensure SMILES are non-null and parseable; add code quality checks; use GitHub actions to ensure tests run/continue working/etc. + ## Citing this work Please cite this GitHub repository, as well as "The Guthrie Hydration Free Energy Database of Experimental Small Molecule Hydration Free Energies," J. Peter Guthrie and David L. Mobley, eScholarship, [https://escholarship.org/uc/item/53n2h10t](https://escholarship.org/uc/item/53n2h10t).