Data & ReproProtein Structure & DesignFreedomIntelligence/OpenClaw-Medical-SkillsData & Reproduction
IP

ipsae

Maintainer FreedomIntelligence · Last updated April 1, 2026

ipSAE (interprotein Score from Aligned Errors) is a scoring function for ranking protein-protein interactions predicted by AlphaFold2, AlphaFold3, and Bolt.

OpenClawNanoClawAnalysisReproductionipsae🔬 omics & computational biologyprotein structure & designbinder

Original source

FreedomIntelligence/OpenClaw-Medical-Skills

https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/ipsae

Maintainer
FreedomIntelligence
License
MIT
Last updated
April 1, 2026

Skill Snapshot

Key Details From SKILL.md

2 min

Key Notes

  • ipSAE (interprotein Score from Aligned Errors) is a scoring function for ranking protein-protein interactions predicted by AlphaFold2, AlphaFold3, and Boltz1. It outperforms ipTM and iPAE for binder design ranking with 1.4x higher precision in identifying true binders.
  • Paper: What's wrong with AlphaFold's ipTM score.

Source Doc

Excerpt From SKILL.md

Key parameters

ParameterDescriptionRecommended
PAE fileJSON (AF2/AF3) or NPZ (Boltz)Match predictor
Structure filePDB or CIF structureMatch PAE
PAE cutoffThreshold for contacts10-15
Distance cutoffMax CA-CA distance (A)10-15

Output format

Two output files are generated:

Chain-pair scores (_chains.csv):

Residue-level scores (_residues.csv):

Successful run

What good output looks like:

  • ipSAE_min > 0.61 (primary filter)
  • pDockQ > 0.5 (supporting metric)
  • Reasonable number of interface contacts (20-100)

Use cases

  • Use ipsae in research workflows aligned with this subject area.
  • Follow the upstream documentation for the full working procedure.

Not for

  • Do not rely on this catalog entry alone for installation or maintenance details.

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