From 5bfaf63788a882070fe0e5cdaf48c250c8b14db3 Mon Sep 17 00:00:00 2001 From: IAlibay Date: Wed, 6 Nov 2024 11:38:12 +0000 Subject: [PATCH] Backfill the news items for v1.1.0 --- news/backfill_new.rst | 31 +++++++++++++++++++++++++++++++ 1 file changed, 31 insertions(+) create mode 100644 news/backfill_new.rst diff --git a/news/backfill_new.rst b/news/backfill_new.rst new file mode 100644 index 00000000..61333c02 --- /dev/null +++ b/news/backfill_new.rst @@ -0,0 +1,31 @@ +**Added:** + +* KeyedChain GufeTokenizable representation was added, allowing + GUFE objects to be deduplicated when serializing GufeTokenizables + (PR #286). +* Added `to_json` and `from_json` convenience methods to GufeTokenizables + to more easily convert to a JSON keyed chain representation (PR #368). + +**Changed:** + +* Minimum Python version has been raised to v3.10 (PR #340) + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* Fixed an issue where partial charges were not being read from rdkit + Molecules where atom level properties were not set. This occured + mainly when reading from an SDF file with partial charge tags (PR #312). +* Fixed an issue where ProtocolDAG DAG order & keys were unstable / + non-deterministic between processes under some circumstances (PR #315). + +**Security:** + +*