Use when performing protein-ligand docking, virtual screening, or structure-based drug design. Covers receptor preparation (protonation, pocket definition), AutoDock Vina/Gnina docking engines, high-throughput virtual screening pipelines, pose analysis with interaction fingerprints, and ensemble docking for protein flexibility.
How to install docking?
kdevos12/alkyl/docking
$npx -y skills add kdevos12/alkyl --skill dockingInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/kdevos12/alkyl" --skill "kdevos12/alkyl/docking"` 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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