Use when working with pharmacophore modeling for drug discovery. Covers feature types (HBD/HBA/AR/HYD/POS/NEG), RDKit 2D/3D pharmacophore fingerprints and matching (Pharm2D, Pharm3D, ChemicalFeatures), structure-based pharmacophore from protein-ligand complexes, ligand-based pharmacophore from active sets, and pharmacophore-based virtual screening workflows.
How to install pharmacophore?
kdevos12/alkyl/pharmacophore
$npx -y skills add kdevos12/alkyl --skill pharmacophoreInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/kdevos12/alkyl" --skill "kdevos12/alkyl/pharmacophore"` 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/kdevos12/alkyl" that are relevant to the current task. Run `npx skills add "https://github.com/kdevos12/alkyl"` and select the relevant skills, then follow their instructions.
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