Individual skill

ligandmpnn

Inverse-fold a backbone with ligand, nucleic-acid, and metal context using LigandMPNN (Dauparas et al. 2023, github.com/dauparas/LigandMPNN). Reach for this skill to redesign the residues lining a binding pocket around a bound small molecule or cofactor, to design metal-coordinating sites where the geometry must be respected, or to get threaded designed-sequence PDBs out of any MPNN run.

skills/claude-science/ligandmpnn/SKILL.md

Source commit 194710623e2e8d4824971b3945839c173c2fc2b1

What was checked

Matches the observed repository HEAD

Yes

Scanner rules are current

Yes

Repository scan complete

No

Skill scan complete

No

Observed behavior

Network or broad shell

Last checked

Nov 9, 2026

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

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