Ecosyste.ms: Issues

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GitHub / MolecularAI/reaction_utils issues and pull requests

#25 - Upgrade codecov action version

Pull Request - State: open - Opened by SGenheden about 1 month ago

#24 - Prepare release 1.7.0

Pull Request - State: closed - Opened by SGenheden about 1 month ago

#23 - Route comparison example

Pull Request - State: closed - Opened by SGenheden about 1 month ago

#22 - Route comparison and scoring updates

Pull Request - State: closed - Opened by SGenheden about 2 months ago
Labels: enhancement

#21 - Release v1.6.0

Pull Request - State: closed - Opened by Lakshidaa 3 months ago

#20 - Update `rdkit` version

Pull Request - State: closed - Opened by Lakshidaa 3 months ago

#19 - How to use the routes drawing factory

Issue - State: closed - Opened by thegodone 4 months ago - 7 comments

#18 - Adding updates for 1.5.0 release

Pull Request - State: closed - Opened by SGenheden 6 months ago

#17 - Updates for 1.4.0 release

Pull Request - State: closed - Opened by SGenheden 9 months ago - 2 comments

#16 - Add Github action to publish releases to PyPI

Pull Request - State: closed - Opened by Lakshidaa 11 months ago - 2 comments

#15 - Release 1.3.0

Pull Request - State: closed - Opened by SGenheden 11 months ago - 1 comment

#14 - why just check these four atom properties?

Issue - State: closed - Opened by queliyong 12 months ago - 2 comments
Labels: question

#13 - USPTO processing pipeline: "remove_unsanitizable" implies "trim_rxn_smiles" called before

Issue - State: open - Opened by Academich about 1 year ago - 1 comment
Labels: enhancement

#12 - Neutralize molecules

Issue - State: closed - Opened by iuhgnor almost 2 years ago - 4 comments

#11 - Public release 1.2.0

Pull Request - State: closed - Opened by SGenheden about 2 years ago

#10 - Release 1.1.1

Pull Request - State: closed - Opened by SGenheden about 2 years ago - 2 comments

#9 - Release 1.1.0

Pull Request - State: closed - Opened by SGenheden about 2 years ago - 1 comment

#8 - Dependency updates

Pull Request - State: closed - Opened by SGenheden about 2 years ago

#7 - Ord importer

Pull Request - State: closed - Opened by SGenheden about 2 years ago

#6 - Check that RDKit Contrib folder was installed

Pull Request - State: closed - Opened by SGenheden about 2 years ago

#5 - Fix package for non Linux systems

Pull Request - State: closed - Opened by SGenheden over 2 years ago - 1 comment

#4 - Fix template docs

Pull Request - State: closed - Opened by marcosfelt over 2 years ago - 1 comment

#3 - Contrib folder not installed with RDkit pypi installation

Issue - State: closed - Opened by SGenheden over 2 years ago - 1 comment
Labels: bug

#2 - Upload package to pypi

Issue - State: closed - Opened by marcosfelt over 2 years ago - 5 comments
Labels: enhancement

#1 - Pickle error with timeout_decorator package

Issue - State: closed - Opened by marcosfelt over 2 years ago - 10 comments
Labels: bug