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patoangolanopatoangolano/bio-stack/.agents/skills/complexa-evaluate-pdbs/SKILL.md

complexa-evaluate-pdbs

Skill0 starsChanged 31 days agoNo licenceView on GitHub

Standalone evaluation of an existing PDB directory with Proteina-Complexa. Use when the user wants to "evaluate PDB files", "re-fold these designs", "compute interface pAE", "compute i_pLDDT for a folder", "run AF2 / RF3 / ESMFold on my designs", "score binder candidates", "designability of this folder", "scRMSD for designs", "motif RMSD for these PDBs", "complexa analysis", "complexa evaluate from a PDB directory", "evaluate from pdb dir", or to score third-party outputs (BindCraft, AlphaProteo, RFdiffusion, hand-curated decoys). Picks the correct evaluate_*.yaml config, wires ++dataset.pdb_dir and the folding backend, runs the evaluate → analyze chain, parses the result CSV, and reports pass-rates against the right result_type thresholds.

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7 rules. About 0 are common, 1 is distinctive, and 6 are very specific to this project.

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