ToolUniverse is a collection of tools, interfaces, and supporting components for building AI systems that perform scientific work. It is for developers creating AI scientist agents that use APIs, databases, machine-learning tools, and domain-specific utilities. The catalogue includes skills, commands, an MCP server, an agent, and a hook for working with the ecosystem.
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 mims-harvard/ToolUniverse --skill tooluniverse-inorganic-physical-chemistrygit clone --depth 1 https://github.com/mims-harvard/ToolUniverseWrote 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/mims-harvard/tooluniverse/tooluniverse-inorganic-physical-chemistry)<a href="https://agentmods.dev/skills/mims-harvard/tooluniverse/tooluniverse-inorganic-physical-chemistry"><img src="https://agentmods.dev/badge/skills/mims-harvard/tooluniverse/tooluniverse-inorganic-physical-chemistry/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.
<a href="https://agentmods.dev/skills/mims-harvard/tooluniverse/tooluniverse-inorganic-physical-chemistry"><img src="https://agentmods.dev/badge/skills/mims-harvard/tooluniverse/tooluniverse-inorganic-physical-chemistry.svg" alt="Reviewed on agentmods" width="80" height="20"></a>- NVIDIA SkillSpector warn
SkillSpector: 1 finding, up to medium
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 →
- medium analysis-evasion · line 1 Suspicious Unicode normalization or mixed-script contentFix: Review the flagged content for security risks. Ensure no credentials, secrets, or sensitive data are exposed.
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 | $0.00071 | $0.02268 |
| Opus 5.5 | $0.00028 | $0.00907 |
| Sonnet 5.5 | $0.00014 | $0.00454 |
| Haiku 4.5 | $0.00007 | $0.00227 |
Grade A, and why
tooluniverse-inorganic-physical-chemistry 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 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.
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.
How it starts
The opening of the file, as written. The whole thing — 116 lines — stays where its author put it; the contents beside it link to each section on GitHub.
Inorganic & Physical Chemistry
Reasoning Strategy
1. Crystal Structure Questions
When given crystal structure data, always COMPUTE don't guess:
-
Calculate unit cell volume for the crystal system:
- Cubic: V = a^3
- Tetragonal: V = a^2 * c
- Orthorhombic: V = a * b * c
- Monoclinic: V = a * b * c * sin(beta)
- Triclinic: V = abc * sqrt(1 - cos^2(alpha) - cos^2(beta) - cos^2(gamma) + 2*cos(alpha)*cos(beta)*cos(gamma))
- Hexagonal: V = a^2 * c * sqrt(3)/2
-
Verify density: d = (Z * M) / (V * Na * 1e-24) where V in ų, M in g/mol, Na = 6.022e23
-
Preferred: Use
CrystalStructure_validatetool (via MCP/SDK). Fallback:python3 skills/tooluniverse-organic-chemistry/scripts/crystal_validator.py --a X --b Y --c Z --alpha A --beta B --gamma G --Z N --MW M --density D -
For batch comparison (find the wrong dataset): Save datasets as JSON array and use
--datasets path/to/datasets.json -
When you need REAL experimental crystal data (not user-supplied numbers to validate), use the Crystallography Open Database (COD) tools — see below.
CrystalStructure_validatechecks internal consistency of numbers you already have; COD looks up actual deposited structures.
Looking up real crystal structures (COD)
COD_search_structures and COD_get_structure query the Crystallography Open Database (500,000+ experimentally determined structures — inorganic, organic, mineral, and metal-organic). Use when a compound/mineral name, chemical formula, elements, or space group is named and you need real unit-cell parameters, space group, and publication details rather than computing from given numbers.
COD_search_structures({"el1":"Cu","el2":"O","nel":"2","sgNumber":"225","results":5}) # binary Cu-O compounds, FCC space group
COD_search_structures({"mineral":"calcite","results":5})
COD_search_structures({"text":"aspirin","results":5}) # free-text also matches organic/pharmaceutical crystals, not just inorganic
COD_get_structure({"id":"1011240"}) # full detail (a,b,c,alpha,beta,gamma,vol,Z,sg,sgNumber,doi,...) for one COD entry
What ships with it
1 file 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.
- 10d ago Changed · +17 lines ac098cc2d336
- 1mo ago First seen · 99 lines · 71 tokens per session scan A d4adcf15e205
tooluniverse-inorganic-physical-chemistry is a skill published in the GitHub repository mims-harvard/ToolUniverse (1,744 stars, last pushed yesterday), licensed Apache-2.0. It adds 71 tokens to every session and 2,268 once invoked, about $0.0003 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 2026-09-03.
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