End-to-end molecular docking pipeline. Target preparation, pocket detection, protein-ligand docking (DiffDock/Vina), scoring, interaction analysis, and pose ranking.
How to install molecular-docking?
synthetic-sciences/openscience/molecular-docking
$npx -y skills add synthetic-sciences/openscience --skill molecular-dockingInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/synthetic-sciences/openscience" --skill "synthetic-sciences/openscience/molecular-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/synthetic-sciences/openscience" that are relevant to the current task. Run `npx skills add "https://github.com/synthetic-sciences/openscience"` and select the relevant skills, then follow their instructions.
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