rdkit-molecular-descriptors
byma-compbio-lab· 58 skills
Use this skill to compute compact cheminformatics descriptors from one SMILES string with RDKit. Do not use it for docking, quantum chemistry, or large library screening.
How to install rdkit-molecular-descriptors?
ma-compbio-lab/skillfoundry/rdkit-molecular-descriptors
$npx -y skills add ma-compbio-lab/skillfoundry --skill rdkit-molecular-descriptorsInstalls 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-molecular-descriptors"` 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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