diff --git a/CHANGELOG.md b/CHANGELOG.md index 443368e..a46a0fe 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,20 +1,5 @@ # CHANGELOG -## Version 1.7.0 - 2024-10-15 - -### Features - -- Support for novel route comparison metric -- Support for tree edit distance (TED) calculations previously in the `route_distances` package -- Support for Retro-BLEU and Badowski et al. route scoring -- Update to USPTO pre-processing pipeline to support extracting yields -- Extended route methods taken from `route_distances` -- Support for augmenting single-reactant reactions - -### Trivial changes - -- Updates to reaction tagging routines - ## Version 1.6.0 - 2024-06-13 ### Trivial changes diff --git a/README.md b/README.md index d4db6f4..b2328da 100644 --- a/README.md +++ b/README.md @@ -29,8 +29,6 @@ Setup your python environment and then run Consult the documentation for further information. -For some tasks such as atom-mapping with `rxnmapper` you need to setup additional environment and packages, see [here](https://molecularai.github.io/reaction_utils/uspto.html) - ### For developers First clone the repository using Git. @@ -109,8 +107,7 @@ Please use ``black`` package for formatting, and follow ``pep8`` style guide. * [@ckannas](https://github.com/ckannas) * [@SGenheden](https://www.github.com/SGenheden) -* [@anniewesterlund](https://www.github.com/anniewesterlund) -* [@Lakshidaa](https://github.com/Lakshidaa) +* [@anniewesterlund](https://www.github.com/anniewesterlund) * [@CBA087](https://www.github.com/CBA087) * [@EBjerrum](https://www.github.com/EBjerrum) * [@A-Thakkar](https://www.github.com/A-Thakkar) diff --git a/docs/conf.py b/docs/conf.py index 71b88e0..59a69a9 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -4,9 +4,9 @@ sys.path.insert(0, os.path.abspath(".")) project = "ReactionUtils" -copyright = "2022-2024, Molecular AI group" +copyright = "2022, Molecular AI group" author = "Molecular AI group" -release = "1.7.0" +release = "1.6.0" extensions = [ "sphinx.ext.autodoc",