rdkit-molecule-standardization
byma-compbio-lab· 58 skills
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.
How to install rdkit-molecule-standardization?
ma-compbio-lab/skillfoundry/rdkit-molecule-standardization
$npx -y skills add ma-compbio-lab/skillfoundry --skill rdkit-molecule-standardizationInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/ma-compbio-lab/skillfoundry" --skill "ma-compbio-lab/skillfoundry/rdkit-molecule-standardization"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/ma-compbio-lab/skillfoundry" that are relevant to the current task. Run `npx skills add "https://github.com/ma-compbio-lab/skillfoundry"` and select the relevant skills, then follow their instructions.
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