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RECETOX / MSMetaEnhancer Public

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Extend RDKit converter with InChI and InChIKey conversions#180

Merged

hechth merged 9 commits into

mainRECETOX/MSMetaEnhancer:mainfrom

copilot/extend-rdkit-conversionsRECETOX/MSMetaEnhancer:copilot/extend-rdkit-conversionsCopy head branch name to clipboard

Jun 8, 2026

Conversation Commits9 (9)Checks Files changed

Merged

Extend RDKit converter with InChI and InChIKey conversions#180
hechth merged 9 commits into
mainfrom
copilot/extend-rdkit-conversions

Commits

Commits on Jun 2, 2026

Initial plan
Copilot
authored
Extend RDKit conversions: add smiles/inchi to inchi/inchikey
Copilot
authored
Update changelog for RDKit InChI/InChIKey conversions
Copilot
authored
Update CHANGELOG with new RDKit conversions
hechth
authored

Commits on Jun 5, 2026

fix CTS unavailability
hechth
committed
linting
hechth
committed
changed to xfail
hechth
committed
added xfail and another dependency
hechth
committed
updated workflows
hechth
committed

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