foldseek-structural-search

foldseek-structural-search is a skill for Claude Code, Codex from google-deepmind/science-skills. It costs 97 tokens per session (1,286 once invoked), scanned A, original, Apache-2.0.

A service for finding proteins with similar three-dimensional structures. It uses Foldseek to compare a user-provided PDB, CIF, or mmCIF structure file against protein-structure databases such as PDB and AlphaFold.

In plain words
What is it for?
Use it with a protein structure file to find similar structures, review alignment measurements, summarize possible functions, and save results as Markdown and JSON.
Why use it?
It removes the need to search structure databases manually when the protein's sequence, name, or accession ID is not enough.

Skill for Claude CodeCodex

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

Good fit Use it with a protein structure file to find similar structures, review alignment measurements, summarize possible functions, and save results as Markdown and JSON.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/google-deepmind/science-skills/foldseek_structural_search
About the project

Science Skills is a collection of add-ons that give AI agents structured instructions, scripts, and references for scientific research, including genomics, structural biology, cheminformatics, and literature search. Researchers use it to guide agents through specialized scientific tasks with information from databases and tools such as AlphaGenome, AFDB, and UniProt. The catalogue entries are individual skills from this collection.

google-deepmind/science-skills · 3,307 stars · on GitHub · antigravity.google

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 google-deepmind/science-skills --skill foldseek_structural_search
Clone the repo
git clone --depth 1 https://github.com/google-deepmind/science-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 foldseek-structural-search

README.md
[![agentmods](https://agentmods.dev/badge/skills/google-deepmind/science-skills/foldseek_structural_search/github.svg)](https://agentmods.dev/skills/google-deepmind/science-skills/foldseek_structural_search)
Your own site
<a href="https://agentmods.dev/skills/google-deepmind/science-skills/foldseek_structural_search"><img src="https://agentmods.dev/badge/skills/google-deepmind/science-skills/foldseek_structural_search/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 foldseek-structural-search

Your own site · 80×15
<a href="https://agentmods.dev/skills/google-deepmind/science-skills/foldseek_structural_search"><img src="https://agentmods.dev/badge/skills/google-deepmind/science-skills/foldseek_structural_search.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 97 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,286 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. 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 $0.00097 $0.01286
Opus 5.5 $0.00039 $0.00514
Sonnet 5.5 $0.00019 $0.00257
Haiku 4.5 $0.00010 $0.00129

Measured 1mo ago against content hash 3aff6e5f4725, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

foldseek-structural-search scanned grade A with 0 findings 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 1mo ago.

The scan reads SKILL.md. This mod also ships 1 executable file (scripts/search.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

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.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

skills/foldseek_structural_search/SKILL.md · 100 lines

How it starts

The opening of the file, as written. The whole thing — 100 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Prerequisites

  1. uv: Read the uv skill and follow its Setup instructions to ensure uv is installed and on PATH.
  2. User Notification: If .licenses/foldseek_structural_search_LICENSE.txt does not already exist in the workspace root directory then (1) prominently notify the user to check the terms at https://search.foldseek.com/search and https://github.com/steineggerlab/foldseek, then (2) create the file recording the notification text and timestamp.

Goal

Submit a user-provided 3D protein structure file (.cif, .mmcif, or .pdb) to the Foldseek web server API to find structurally similar proteins. Report the top structural hits, interpret key alignment metrics, summarize the inferred protein functions, save the Markdown-formatted table to a .md file, and save the full detailed results to a local JSON file.

Core Rules

  • File Requirement: This tool absolutely cannot search by sequence, name, or accession ID. It strictly requires a .pdb, .cif, or .mmcif file path.
  • Strict Validation: Never bypass the input validation or the database allowlist check.
  • Do Not Parse the JSON: Rely entirely on the generated .md file for your immediate summary. The JSON is saved purely for subsequent, specialized tool use.
  • No Raw Parsing: Do not attempt to parse or read the raw 3D coordinates yourself; always pass the file to the script.
  • Notification: If this skill is used, ensure this is mentioned in the output.

Instructions

  1. Strict Input Validation: Verify that the user has explicitly provided a valid path to a .cif, .mmcif, or .pdb file in their workspace.
    • If the user provided a protein name, an amino acid sequence, or an accession ID (e.g., a UniProt ID) but NO downloaded structure file, halt immediately. Do not run the script.
    • Inform the user that Foldseek requires a physical 3D coordinate file, and suggest downloading the structure first (e.g., using the AlphaFold fetch tool).
  2. Database Validation: Check if the user requested specific databases to search.
    • Allowed List: afdb50, afdb-swissprot, pdb100, BFVD, mgnify_esm30, cath50, gmgcl_id, bfmd, afdb-proteome.
    • If the user requests a database NOT on this list, halt immediately. Do not run the script. Inform the user that the database is unsupported and provide them with the allowed list.
  3. Generate File Names: Generate descriptive output file names for both the JSON data and the Markdown table based on the input file (e.g., proteinA_foldseek_results.json and proteinA_foldseek_results.md).
  4. Execute the python script based on the user's request, redirecting the standard output into your generated .md file:
    • Default (No databases specified): uv run scripts/search.py <path-to-file> -o <generated-filename.json> > <generated-filename.md>
    • Custom (Valid databases specified): uv run scripts/search.py <path-to-file> -o <generated-filename.json> --databases <db1,db2,db3> > <generated-filename.md>
  5. The script will query the databases, save the full JSON payload, and write a Markdown-formatted table to your specified .md file.
  6. Read the Results: Open and read the newly generated .md file carefully to view the Markdown table.
  7. Interpret the Metrics: Summarize the top 3 to 5 structural matches that have meaningfull annotations for the user. When reporting, assess the match quality using these specific fields:
    • Prob (Probability): Values approaching 1.0 (100%) indicate extreme confidence that the fold is a true structural homologue.
    • Q-Cov (Query Coverage): High percentages mean the match covers the majority of the query protein's overall shape, rather than just a small local motif.
    • E-value & Seq Identity: Use these to provide additional evolutionary context.
  8. Perform Functional Analysis: Analyze the text descriptions embedded within the Target ID column for the reported matches.
    • Explicitly report the specific protein names/functions of the top structural homologues.
    • Provide a synthesized overview summarizing the entire variety of different functions, domains, or protein families found across the whole list of homologues (e.g., "Most hits are portal proteins, but there is also a distinct cluster of viral capsid matches...").
  9. Explicitly inform the user of both newly created files (.json and .md) and their locations so they can be seamlessly used in subsequent analysis steps.

Read the full file on GitHub · 100 lines

Files

What ships with it

2 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

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. 1mo ago First seen · 100 lines · 97 tokens per session scan A 3aff6e5f4725

Subscribe to this mod's changes

foldseek-structural-search is a skill published in the GitHub repository google-deepmind/science-skills (3,307 stars, last pushed 6d ago), licensed Apache-2.0. It adds 97 tokens to every session and 1,286 once invoked, about $0.0004 per session on Opus 5.5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

Related

Other skills, from other repositories

instrument-data-to-allotrope

Convert laboratory instrument output files (PDF, CSV, Excel, TXT) to Allotrope Simple Model (ASM) JSON format or flattened 2D CSV. Use this skill when scientists need to standardize instrument data for LIMS systems, data lakes, or downstream analysis. Supports auto-detection of instrument types. Outputs include full…

anthropics/knowledge-work-plugins · 123 tokens

exploratory-data-analysis

Performs bounded, local exploratory analysis of explicitly supported scientific files. Supports redacted CSV/TSV/JSON profiles; optional NumPy, HDF5, FASTA/FASTQ, and basic image metadata inspection; missingness/leakage audits; outlier and transformation sensitivity; and rigorous EDA report scaffolds. Other domain…

K-Dense-AI/scientific-agent-skills · 83 tokens

matlab

Builds, reviews, migrates, and plans MATLAB or GNU Octave numerical workflows. Use for arrays, tabular/time data, tests, projects, graphics, MAT files, and explicit Python interoperability.

K-Dense-AI/scientific-agent-skills · 44 tokens

phylogenetics

Builds and analyzes phylogenetic trees using MAFFT multiple sequence alignment, IQ-TREE maximum likelihood with ModelFinder and branch support, and FastTree approximate inference. Uses ETE3 for tree summaries and visualization. Applies to homologous nucleotide or protein sequences, microbial gene trees, protein…

K-Dense-AI/scientific-agent-skills · 71 tokens

research-engineer

An uncompromising Academic Research Engineer. Operates with absolute scientific rigor, objective criticism, and zero flair. Focuses on theoretical correctness, formal verification, and optimal implementation across any required technology.

davila7/claude-code-templates · 43 tokens

presenting-conference-talks

Generates conference presentation slides (Beamer LaTeX PDF and editable PPTX) from a compiled paper with speaker notes and talk script. Use when preparing oral talks, spotlight presentations, or invited talks for ML and systems conferences.

Orchestra-Research/AI-Research-SKILLs · 53 tokens