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Pull requests: ncats/molwitch-cdk

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Pull requests list

Substructure search fix
#44 opened Aug 13, 2026 by ChemMitch Contributor Loading…
one additional test
#43 opened Jul 21, 2026 by ChemMitch Contributor Loading…
Use the CDK atom types to do the valence check, falling back to simpl…
#40 opened Mar 21, 2026 by johnmay Loading…
1
[Snyk] Upgrade gov.nih.ncats:molwitch from 0.6.8 to 0.6.9
#35 opened Dec 13, 2024 by tjmierzwa Loading…
[Snyk] Upgrade gov.nih.ncats:ncats-common from 0.3.6 to 0.3.7
#34 opened Dec 13, 2024 by tjmierzwa Loading…
[Snyk] Upgrade org.jooq:jool-java-8 from 0.9.13 to 0.9.15
#33 opened Dec 13, 2024 by tjmierzwa Loading…
update codeql
#31 opened Aug 1, 2024 by pabbathreddya2 Loading…
WIP: added Bonds to handleQueryAtomsAndBonds
#27 opened Jun 19, 2024 by ChemMitch Contributor Loading…
Fix stereo bug
#19 opened Dec 4, 2023 by tylerperyea Contributor Loading…
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