diff --git a/CHANGELOG.md b/CHANGELOG.md index 443368e..118f014 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,19 @@ # CHANGELOG +## Version 1.8.0 - 2024-12-18 + +### Features + +- DeepSet route scoring routines +- SCScore featurizer for molecules +- Routine for identifying symmetric sites on molecules +- Batch utilities for numpy arrays +- Reader for synthesis route from aizynthfinder dictionary + +### Trivial changes + +- Update dependencies + ## Version 1.7.0 - 2024-10-15 ### Features diff --git a/docs/conf.py b/docs/conf.py index 71b88e0..aee642e 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -6,7 +6,7 @@ project = "ReactionUtils" copyright = "2022-2024, Molecular AI group" author = "Molecular AI group" -release = "1.7.0" +release = "1.8.0" extensions = [ "sphinx.ext.autodoc", diff --git a/pyproject.toml b/pyproject.toml index 6114058..c3a7ce8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "reaction_utils" -version = "1.7.0" +version = "1.8.0" description = "Utilities for working with reactions, reaction templates and template extraction" authors = ["Genheden, Samuel ", "Kannas, Christos "] license = "Apache-2.0"