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RECETOX / MSMetaEnhancer Public

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Add RDKit formula conversions for canonical/isomeric SMILES#178

Merged

hechth merged 2 commits into

mainRECETOX/MSMetaEnhancer:mainfrom

copilot/add-conversion-rdkit-smiles-formulaRECETOX/MSMetaEnhancer:copilot/add-conversion-rdkit-smiles-formulaCopy head branch name to clipboard

May 7, 2026

Conversation Commits2 (2)Checks Files changed

Merged

Add RDKit formula conversions for canonical/isomeric SMILES#178
hechth merged 2 commits into
mainfrom
copilot/add-conversion-rdkit-smiles-formula

Commits

Commits on May 7, 2026

Initial plan
Copilot
authored
feat: support RDKit canonical and isomeric smiles to formula

Copilot
and
hechth
authored

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