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Analyzed 7 months ago. based on code collected 7 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Mar 17, 2025 — Mar 17, 2026 Showing page 1 of 621 Search / Filter on:
Updated the GitHub Actions	Egon Willighagen	More...				7 months ago
Bumped the year	Egon Willighagen	More...				7 months ago
Reduce the occurrences of "extends CDKTestCase" many times this is not needed at all and allows us to remove "test-jar" dependency.	John Mayfield	More...				7 months ago
Allow abbreviations with isotopes, for example CD3 for deuterated methyl.	John Mayfield	More...				7 months ago
Implement the option "EXPAND_HYDROGENS" we do this as a preprocessing step before the transform is run.	John Mayfield	More...				7 months ago
Skip writing empty LOG (logic) definitions for RGroups.	John Mayfield	More...				7 months ago
Treat R as R0 and allow partial enumeration of R groups. i.e. if one R group is not defined we can still enumerate the rest.	John Mayfield	More...				7 months ago
Make sure the hydrogen count is set to 0 when creating the attachment point.	John Mayfield	More...				7 months ago
Remove commented code	John Mayfield	More...				7 months ago
Ensure small ring size check work correctly.	John Mayfield	More...				7 months ago
Remove the checksum plugin - this is now done via a GH action.	John Mayfield	More...				8 months ago
CDK dev version 2.13-SNAPSHOT	John Mayfield	More...				8 months ago
Missing <name> - needed for maven deployment	John Mayfield	More...				8 months ago
CDK 2.12	John Mayfield	More...				8 months ago
Improve ionic bond depictions - fixes https://github.com/cdk/depict/issues/26 and https://github.com/cdk/depict/issues/99.	John Mayfield	More...				8 months ago
Fix an issue with '>' appearing in the titles and messing up SMILES parsing. Fixes https://github.com/cdk/depict/issues/95	John Mayfield	More...				8 months ago
Add in header	John Mayfield	More...				8 months ago
Fixes #953 - Tweak the expression handling logic of the QueryAtomContainer.	John Mayfield	More...				8 months ago
Fixes #1255 - Add in B3_Minus as a valid aromatic atom type.	John Mayfield	More...				8 months ago
Merge pull request #1265 from cdk/isotopeFactory/noErrorButWarning	John Mayfield	More...				8 months ago
Fixes #1035 - rather than avoid using templates when we have DB stereo we try the template anyways. If the double bonds happen to be correct then all is find. This is useful for cases like porphyrins which have set double bond layouts.	John Mayfield	More...				8 months ago
Downgrade to warning: unnatural elements do not have major isotopes	Egon Willighagen	More...				8 months ago
Fix test cases - we did want null here.	John Mayfield	More...				8 months ago
Make sure formal charge is set to 0	John Mayfield	More...				8 months ago
Move permissions to the job level	John Mayfield	More...				8 months ago
Clean up some type casts	John Mayfield	More...				8 months ago
Use IElement instead of IAtom to access the static field	John Mayfield	More...				8 months ago
Fix warnings about illegal type cast from SonarCloud	John Mayfield	More...				8 months ago
Simplify the atom placer logic to alway place atoms sprouting at correct angles. Fixes #1108	John Mayfield	More...				8 months ago
Some speed improvements to the InChI tautomer generator (Fixes #1256).	John Mayfield	More...				8 months ago

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