Use for fragment-based drug design (FBDD): Rule of 3 filtering, ligand efficiency metrics (LE/LLE/BEI/LELP), fragment library design, fragment docking (Vina/Gnina), fragment growing/linking/merging strategies, and Abad-Zapatero efficiency plots.
How to install fbdd?
kdevos12/alkyl/fbdd
$npx -y skills add kdevos12/alkyl --skill fbddInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/kdevos12/alkyl" --skill "kdevos12/alkyl/fbdd"` 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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