Individual skill

molecular-docking

Molecular docking pipeline using AutoDock Vina for structure-based drug discovery. Triggers on docking, AutoDock Vina, receptor preparation, ligand preparation, PDBQT, grid box, virtual screening, binding affinity, pose prediction, structure-based virtual screening, "redocking RMSD", "Vina score", "docking pose", "prepare receptor", "ligand library screening".

skills/molecular-docking/SKILL.md

Source commit 4603541c396cdd845dbae554800a65132d12bb63

What was checked

Matches the observed repository HEAD

Yes

Scanner rules are current

Yes

Repository scan complete

No

Skill scan complete

Yes

Observed behavior

Instructions only

Last checked

Nov 11, 2026

These are observations at the recorded commit, not a guarantee of safety. Review the source before running it.

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