From aae98a0003946cbdc5595147be284732074e1963 Mon Sep 17 00:00:00 2001 From: David Mobley Date: Tue, 29 Mar 2022 09:15:05 -0700 Subject: [PATCH 1/2] Add changelog, update contributors --- README.md | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 0936084..7285e79 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 +- Chris 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). From 70e5f1a99857673f80e96a2a057a16ffd50394ee Mon Sep 17 00:00:00 2001 From: David Mobley Date: Tue, 29 Mar 2022 09:16:22 -0700 Subject: [PATCH 2/2] Correct name --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 7285e79..6a786bc 100644 --- a/README.md +++ b/README.md @@ -82,7 +82,7 @@ $ tox ### Other contributors - David L. Mobley, UC Irvine, who maintains this repository with help from the community -- Chris Hoyt, who helped with CI and data integrity tests +- 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