rdkit-molecule-standardization

SKILLFlujo de trabajocomunidad
v0.0.0ma-compbio-labApache-2.0Actualizado hace 3 mFuente →

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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hace 3 mÚltima actualización
Skill
Autorma-compbio-lab
Versión0.0.0
LicenciaApache-2.0
CategoríaFlujo de trabajo
Formatosskill.md
PromptNo publicado
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Claude✓ Compatible
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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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