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ipsae

维护者 FreedomIntelligence · 最近更新 2026年4月1日

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

OpenClawNanoClaw分析处理复现实验ipsae🔬 omics & computational biologyprotein structure & designbinder

原始来源

FreedomIntelligence/OpenClaw-Medical-Skills

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

维护者
FreedomIntelligence
许可
MIT
最近更新
2026年4月1日

技能摘要

来自 SKILL.md 的关键信息

2 min

核心说明

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

原始文档

SKILL.md 摘录

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)

适用场景

  • Use ipsae in 科研工作流 aligned ，支持 this subject area。
  • Follow upstream documentation ，用于 full working procedure。

不适用场景

  • Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。

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