rdkit-molecule-standardization

SKILLWorkflowcommunity
v0.0.0ma-compbio-labApache-2.0Updated 3mo agoSource →

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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36Repo stars
1Clients
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3mo agoLast update
Skill
Authorma-compbio-lab
Version0.0.0
LicenseApache-2.0
CategoryWorkflow
Formatsskill.md
PromptNot published
Compatibility
Claude✓ Supported
Cursor—
Copilot—
ChatGPT—
Gemini—
About

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.

Keywords
skillclaude