rdkit-molecule-standardization

SKILLWorkflowcommunauté
v0.0.0ma-compbio-labApache-2.0Mis à jour il y a 3 moisSource →

Use this skill to standardize one small-molecule SMILES string with RDKit MolStandardize. It is for local cleanup, salt stripping, uncharging, and tautomer canonicalization, not docking or batch-library processing.

Community-submitted skill. Not yet reviewed by the Forge team. Full prompt content may not be available.Request review →
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il y a 3 moisDernière mise à jour
Skill
Auteurma-compbio-lab
Version0.0.0
LicenceApache-2.0
CatégorieWorkflow
Formatsskill.md
PromptNon publié
Compatibilité
Claude✓ Pris en charge
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Copilot—
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À propos

Use this skill to standardize one small-molecule SMILES string with RDKit MolStandardize. It is for local cleanup, salt stripping, uncharging, and tautomer canonicalization, not docking or batch-library processing.

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