metabolomics-annotation

metabolomics-annotation is a skill for Claude Code, Codex from TianGzlab/OmicsClaw. It costs 80 tokens per session (1,004 once invoked), scanned A, original, Apache-2.0.

A demo workflow that matches liquid-chromatography mass-spectrometry features to metabolites by their measured mass-to-charge value. It uses a small built-in HMDB dictionary rather than a full external database.

In plain words
What is it for?
Use it to annotate CSV feature tables, apply a parts-per-million tolerance, and produce annotation tables and reports.
Why use it?
It provides quick example annotations while making clear that the lookup is limited and not a real database-scale search.

Skill for Claude CodeCodex

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

Good fit Use it to annotate CSV feature tables, apply a parts-per-million tolerance, and produce annotation tables and reports.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/tiangzlab/omicsclaw/metabolomics-annotation
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 TianGzlab/OmicsClaw --skill metabolomics-annotation
Clone the repo
git clone --depth 1 https://github.com/TianGzlab/OmicsClaw

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 metabolomics-annotation

README.md
[![agentmods](https://agentmods.dev/badge/skills/tiangzlab/omicsclaw/metabolomics-annotation.svg)](https://agentmods.dev/skills/tiangzlab/omicsclaw/metabolomics-annotation)
Your own site
<a href="https://agentmods.dev/skills/tiangzlab/omicsclaw/metabolomics-annotation"><img src="https://agentmods.dev/badge/skills/tiangzlab/omicsclaw/metabolomics-annotation.svg" alt="Measured on agentmods" height="20"></a>
Per session 80 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,004 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 warn 7 Sept 2026
SkillSpector: 1 finding, up to high

These are SkillSpector’s own severities. On a checked sample its high-severity flags on skills were ~96% false positives — a documented command, a public API, a “never do X” rule — so we show them as a caution to read, not a verdict. Why →

  • high Rogue Agent · line 3
    Skill modifies its own code, configuration, or behavior at runtime. Self-modification enables an agent to escalate privileges, disable safety constraints, or install persistent backdoors.
    Fix: Prevent the skill from modifying its own code, SKILL.md, or configuration files. Treat skill files as read-only at runtime.
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 $0.00080 $0.01004
Opus 5 $0.00040 $0.00502
Sonnet 5 $0.00016 $0.00201
Haiku 4.5 $0.00008 $0.00100

Measured 8d ago against content hash ed6d3cb69fbc, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-08, from the pricing page.

Security

Grade A, and why

metabolomics-annotation 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 8d ago.

The scan reads SKILL.md. This mod also ships 1 executable file (metabolomics_annotation.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/metabolomics/metabolomics-annotation/SKILL.md · 85 lines

How it starts

The opening of the file, as written. The whole thing — 85 lines — stays where its author put it; the contents beside it link to each section on GitHub.

metabolomics-annotation

When to use

The user has a feature table with mz (m/z) values and wants each feature annotated by m/z match to a metabolite database. This is demo-only annotation. The reference is an 15-entry HMDB dictionary (metabolomics_annotation.py:57-74: Glucose, Lactic acid, Alanine, Glycine, Serine, Proline, Valine, Leucine). --database {hmdb,kegg,lipidmaps,metlin} is recorded as metadata but does NOT switch the lookup table.

For real database-scale annotation use SIRIUS / GNPS / MetFrag externally and feed the resulting annotation CSV into a downstream skill.

Inputs & Outputs

Inputs

  • File types: .csv

Outputs

  • tables/annotations.csv
  • report.md
  • result.json

Flow

  1. Load CSV (--input <features.csv>) or generate a demo (--demo).
  2. For each input mz, search the 15-entry HMDB dictionary (metabolomics_annotation.py:57-74) within --ppm tolerance.
  3. Write tables/annotations.csv (metabolomics_annotation.py:279) + report.md + result.json.

Gotchas

  • Database is HARD-CODED 8 metabolites — --database is metadata only. metabolomics_annotation.py:57-74 defines an 15-entry HMDB tuple. The CLI accepts hmdb / kegg / lipidmaps / metlin (:251 choices=...) but the value is only logged into result.json — the lookup always uses the same 15-entry HMDB list. For real annotation, use SIRIUS / GNPS / MetFrag externally.
  • --ppm 10.0 default is m/z-tolerance. Suitable for high-resolution Orbitrap; for low-resolution Q-TOF use --ppm 30.0. The mass-error formula is |mz_obs - mz_ref| < (ppm × mz_ref / 1e6).
  • --input REQUIRED unless --demo. metabolomics_annotation.py:269 raises ValueError("--input required when not using --demo").
  • Required CSV column is mz (lowercase). XCMS exports mzmed, MZmine exports m/z; rename to mz first.
  • Multiple matches per feature ⇒ multiple rows. A feature with 3 candidate matches yields 3 rows in tables/annotations.csv; deduplicate downstream by feature_id if you need 1:1.

Read the full file on GitHub · 85 lines

Files

What ships with it

5 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. 8d ago First seen · 85 lines · 80 tokens per session scan A ed6d3cb69fbc

Subscribe to this mod's changes

metabolomics-annotation is a skill published in the GitHub repository TianGzlab/OmicsClaw (160 stars, last pushed 1mo ago), licensed Apache-2.0. It adds 80 tokens to every session and 1,004 once invoked, about $0.0004 per session on Opus 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.

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