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 skills add InternScience/ChemClaw --skill xrd-spectra-simulationgit clone --depth 1 https://github.com/InternScience/ChemClawWrote 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/internscience/chemclaw/xrd-spectra-simulation)<a href="https://agentmods.dev/skills/internscience/chemclaw/xrd-spectra-simulation"><img src="https://agentmods.dev/badge/skills/internscience/chemclaw/xrd-spectra-simulation.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 5.1 | $0.00024 | $0.00360 |
| Opus 5 | $0.00012 | $0.00180 |
| Sonnet 5 | $0.00005 | $0.00072 |
| Haiku 4.5 | $0.00002 | $0.00036 |
Grade A, and why
xrd-spectra-simulation 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 7d 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
XRD Spectrum Simulation Skill
When to use this
Use this skill when the user provides a .cif structure file and wants:
- Simulated XRD pattern (Cu Kα by default)
- Publication-ready PNG plot
Inputs
- .cif file path (user provides crystal structure)
Outputs
/tmp/chemclaw/xrd_spectrum.png— XRD pattern plot
New environment (from zero)
conda create -n spec python=3.12 -y
conda activate spec
cd xrd-spectra-simulation
pip install -r requirements.txt
python xrd_spectra_simulation.py example/1100157.cif
- 仓库内附范例
example/1100157.cif可直接测试。
How to use
cd xrd-spectra-simulation
python xrd_spectra_simulation.py example/1100157.cif
python xrd_spectra_simulation.py path/to/structure.cif --output /tmp/chemclaw/my_xrd.png
Optional
cd xrd-spectra-simulation
python xrd_spectra_simulation.py structure.cif --wavelength MoKa
Dependencies (requirements.txt)
- pymatgen
- matplotlib
Notes
- Uses pymatgen XRDCalculator
- Default: Cu Kα radiation
- Available: CuKa, MoKa, CrKa, FeKa, CoKa, AgKa, etc.
What ships with it
4 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.
- 7d ago First seen · 54 lines · 24 tokens per session scan A 3222096a8d61
xrd-spectra-simulation is a skill published in the GitHub repository InternScience/ChemClaw (52 stars, last pushed 5mo ago), licensed MIT. It adds 24 tokens to every session and 360 once invoked, about $0.0001 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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