ipsae

ipsae is a skill for Claude Code, Codex from adaptyvbio/protein-design-skills. It costs 103 tokens per session (1,492 once invoked), scanned A, original, MIT.

A scoring tool for ranking predicted protein binders—designed proteins that should attach to a target protein—using AlphaFold2, AlphaFold3, or Boltz1 results.

In plain words
What is it for?
Use it to rank binder designs, filter BindCraft or RFdiffusion outputs, compare structure predictions, and estimate which designs are worth experimental testing.
Why use it?
It helps separate likely successful protein interactions from unreliable predictions. This can improve filtering compared with interface scores such as ipTM or iPAE.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it to rank binder designs, filter BindCraft or RFdiffusion outputs, compare structure predictions, and estimate which designs are worth experimental testing.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/adaptyvbio/protein-design-skills/ipsae
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add adaptyvbio/protein-design-skills --skill ipsae
Clone the repo
git clone --depth 1 https://github.com/adaptyvbio/protein-design-skills

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for ipsae

README.md
[![agentmods](https://agentmods.dev/badge/skills/adaptyvbio/protein-design-skills/ipsae/github.svg)](https://agentmods.dev/skills/adaptyvbio/protein-design-skills/ipsae)
Your own site
<a href="https://agentmods.dev/skills/adaptyvbio/protein-design-skills/ipsae"><img src="https://agentmods.dev/badge/skills/adaptyvbio/protein-design-skills/ipsae/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for ipsae

Your own site · 80×15
<a href="https://agentmods.dev/skills/adaptyvbio/protein-design-skills/ipsae"><img src="https://agentmods.dev/badge/skills/adaptyvbio/protein-design-skills/ipsae.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 103 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,492 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 1 finding. A grade says what 26 rules found in the file — not that it is safe. Third-party audits
  • NVIDIA SkillSpector pass 7 Sept 2026
How audits are shown
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00103 $0.01492
Opus 5 $0.00051 $0.00746
Sonnet 5 $0.00021 $0.00298
Haiku 4.5 $0.00010 $0.00149

Measured 10d ago against content hash c84383bed746, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-09, from the pricing page.

Security

Grade A, and why

ipsae scanned grade A with 1 finding against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 10d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Runs shell commandslowCapability

Expected in a hook, worth knowing in a rule or an instructions file.

subprocess.run([
skills/ipsae/SKILL.md · 191 lines

How it starts

The opening of the file, as written. The whole thing — 191 lines — stays where its author put it; the contents beside it link to each section on GitHub.

ipSAE Binder Ranking

Prerequisites

Requirement Minimum Recommended
Python 3.8+ 3.10
NumPy 1.20+ Latest
RAM 8GB 16GB

Overview

ipSAE (interprotein Score from Aligned Errors) is a scoring function for ranking protein-protein interactions predicted by AlphaFold2, AlphaFold3, and Boltz1. It separates true from false predicted complexes more reliably than ipTM, which dilutes interface confidence across disordered or accessory regions. In a separate binder meta-analysis (Overath et al. 2025), AF3 ipSAE_min gave a 1.4-fold gain in average precision over the ipAE score that RFdiffusion pipelines commonly filter on.

Paper: Dunbrack, "Rēs ipSAE loquuntur: What's wrong with AlphaFold's ipTM score and how to fix it", bioRxiv 2025.02.10.637595

How to run

Installation

git clone https://github.com/DunbrackLab/IPSAE.git
cd IPSAE
pip install numpy

AlphaFold2

python ipsae.py scores_rank_001.json unrelaxed_rank_001.pdb 15 15

AlphaFold3

python ipsae.py fold_model_full_data_0.json fold_model_0.cif 10 10

Boltz1

python ipsae.py pae_model_0.npz model_0.cif 10 10

Key parameters

Parameter Description Recommended
PAE file JSON (AF2/AF3) or NPZ (Boltz) Match predictor
Structure file PDB or CIF structure Match PAE
PAE cutoff Threshold for contacts 10-15
Distance cutoff Max CA-CA distance (A) 10-15

Output format

Two output files are generated:

Chain-pair scores (_chains.csv):

chain_A,chain_B,ipSAE_min,pDockQ,pDockQ2,LIS,n_contacts,interface_dist
A,B,0.72,0.65,0.58,0.45,42,8.5

Residue-level scores (_residues.csv):

chain,resnum,pSAE,pLDDT
A,45,0.85,92.3
A,67,0.78,88.1

Sample output

Successful run

$ python ipsae.py scores_rank_001.json design_0.pdb 10 10
Processing design_0...
Found 2 chains: A, B
Computing ipSAE scores...

Results written to:
  design_0_chains.csv
  design_0_residues.csv

Summary:
  ipSAE_min: 0.72
  pDockQ: 0.65
  LIS: 0.45
  Interface contacts: 42

Read the full file on GitHub · 191 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 10d ago First seen · 191 lines · 103 tokens per session scan A c84383bed746

Subscribe to this mod's changes

ipsae is a skill published in the GitHub repository adaptyvbio/protein-design-skills (158 stars, last pushed 3mo ago), licensed MIT. It adds 103 tokens to every session and 1,492 once invoked, about $0.0005 per session on Opus 5. A static security scan graded it A with 1 finding (runs shell commands). No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

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Binder design ranking using ipSAE (interprotein Score from Aligned Errors). Use this skill when: (1) Ranking binder designs for experimental testing, (2) Filtering BindCraft or RFdiffusion outputs, (3) Comparing AF2/AF3/Boltz predictions, (4) Predicting binding success rates, (5) Need better ranking than ipTM or iPAE.…

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Binder design ranking using ipSAE (interprotein Score from Aligned Errors). Use this skill when: (1) Ranking binder designs for experimental testing, (2) Filtering BindCraft or RFdiffusion outputs, (3) Comparing AF2/AF3/Boltz predictions, (4) Predicting binding success rates, (5) Need better ranking than ipTM or iPAE.…

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