v0.4.0
Pre-release
Pre-release
This release 0.4.0 implements the following:
-
Add
care.iosub-package containing JSON serializers for ReactionNetwork, ElementaryReaction, Intermediate, and Surface classes. Before, these objects were stored as pickle .pkl files, and any code update would block the loading of the networks created with old code. Now backward-compatibility is ensured, Networks are stored by default as compressed JSON files .json.gz -
CRN blueprints now are directly defined as
care.ReactionNetworkobjects. Addis_evaluatedproperty for networks, reactions and intermediates. -
Improved network visualization function
care.crn.visualize.write_dotgraph. -
Now graph tools
care.evaluators.utilsdepend on NetworkX only, and not anymore on torch-geometric / pytorch.