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.
npx agentmods add skills/learningmatter-mit/atomisticskills/chem-db-spectranpx skills add learningmatter-mit/AtomisticSkills --skill chem-db-spectragit clone --depth 1 https://github.com/learningmatter-mit/AtomisticSkillsWrote 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.
[](https://agentmods.dev/skills/learningmatter-mit/atomisticskills/chem-db-spectra)<a href="https://agentmods.dev/skills/learningmatter-mit/atomisticskills/chem-db-spectra"><img src="https://agentmods.dev/badge/skills/learningmatter-mit/atomisticskills/chem-db-spectra.svg" alt="Measured on agentmods" height="20"></a>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.
| Model | Per session | Once invoked |
|---|---|---|
| Fable 5 | $0.00034 | $0.00528 |
| Opus 5 | $0.00017 | $0.00264 |
| Sonnet 5 | $0.00007 | $0.00106 |
| Haiku 4.5 | $0.00003 | $0.00053 |
Grade A, and why
chem-db-spectra 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 5d 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.
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.
What it actually says
chem-db-spectra
Goal
To query experimental molecular spectra—such as Infrared (IR), Mass Spectrometry, and UV-Vis—from standard experimental databases like the NIST Chemistry WebBook for baseline comparison against properties computed via MLIPs or DFT.
Instructions
Step 1. Query Spectra Data
Use the query_spectra.py script to fetch available spectrographic data for a given chemical formula. The script automatically searches the NIST Chemistry WebBook, resolves the compound, and downloads all available JCAMP-DX (.jdx) formatted spectra into the specified directory.
# Env: base-agent
python .agents/skills/chem-db-spectra/scripts/query_spectra.py <formula> <output_dir> [--type {IR,Mass,UVVis,All}]
Parameters:
formula: The chemical formula to query (e.g.,CH4,C2H6O).output_dir: The directory path to save the downloaded JCAMP-DX (.jdx) spectrum files.--type: Filter the spectrum type to download (options:IR,Mass,UVVis,All). Default isAll.
Constraints
- Environments: The scripts require the
base-agentConda environment. - Spectrum Format: Output data is universally saved in JCAMP-DX (
.jdx) standard format. You must use appropriate spectroscopic python package (e.g.,jcamp) if you need to parse it back into numpy arrays. - Scraping Dependability: This script utilizes HTML scraping (
beautifulsoup4). If the NIST WebBook layout changes in the future, the selectors may need to be updated.
References
- Linstrom, P.J. and Mallard, W.G., Eds., NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg MD. URL
- JCAMP-DX for Infrared, Raman, and Related Data. URL
Author: Bowen Deng Contact: GitHub @learningmatter-mit
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.
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.
- 5d ago First seen · 41 lines · 34 tokens per session scan A af50aeab6c7c
chem-db-spectra is a skill published in the GitHub repository learningmatter-mit/AtomisticSkills (158 stars, last pushed yesterday), licensed MIT. It adds 34 tokens to every session and 528 once invoked, about $0.0002 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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