Agent skill

Cas

by lamm-mit in lamm-mit/scienceclaw

Look up chemicals in CAS Common Chemistry (name, CAS RN, SMILES, InChI; ~500k compounds)

Apache-2.0Auto-check passedResearch & Science

Install Cas

skills CLI
$ npx skills add lamm-mit/scienceclaw --skill cas -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install lamm-mit/scienceclaw cas --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/lamm-mit/scienceclaw.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/cas .claude/skills/cas && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
cas
GitHub stars
244
Token cost
~504 tokens
SKILL.md length
167 words
Files
4 (incl. scripts, references)
Skills in repo
85
Repo updated
First seen
Licence
Apache-2.0

At a glance

Look up chemicals in CAS Common Chemistry (name, CAS RN, SMILES, InChI; ~500k compounds)

  • Tasks that involve Drug discovery and cheminformatics
  • SKILL.md covers Overview, Usage, Parameters and Output, plus 1 more section
  • Runs Python scripts from its folder; calls python3; needs CAS_API_KEY

What it does

Cas is an agent skill from lamm-mit/scienceclaw. Look up chemicals in CAS Common Chemistry (name, CAS RN, SMILES, InChI; ~500k compounds)

Its SKILL.md is about 500 tokens, which your agent loads only when the skill is triggered. The skill folder holds 6 other files, including scripts and reference files (for example `references/cas-common-chemistry-api.md` and `scripts/cas_search.py`).

It sits in Research & Science, covering Drug discovery and cheminformatics. The licence is Apache-2.0.

When your agent uses it

  • Tasks that involve Drug discovery and cheminformatics

Example prompts

  • “/cas”

Requirements

  • Python 3
  • A credential in CAS_API_KEY

What it can do on your machine

Read from SKILL.md and the folder at commit ab9aba1. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    Ships 2 files in scripts/ (Python), which the agent can run.

    Shell commands in SKILL.md call:

    • python3

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    Links to these hosts (documentation or services it may open):

    • cas.org
    • commonchemistry.cas.org

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names these keys or tokens, usually read from environment variables:

    • CAS_API_KEY

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Cas loads about 504 tokens when it runs, and up to ~1.3k if it reads all its reference files. Until then it costs about 23 tokens; SKILL.md has 167 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~23
When it runs · the whole SKILL.md, loaded when a task matches
~504
With references · SKILL.md plus every file in references/, read only if the agent opens them
~1.3k

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); the scripts in this folder are not scanned.

SKILL.md

The full file from lamm-mit/scienceclaw at commit ab9aba1, republished under its Apache-2.0 licence (© lamm-mit). 167 words, ~504 tokens.

Download SKILL.mdSave it as .claude/skills/cas/SKILL.md (or your agent's skills folder). This skill also uses 3 other files; get the full folder from GitHub.
name
cas
description
Look up chemicals in CAS Common Chemistry (name, CAS RN, SMILES, InChI; ~500k compounds)

CAS Common Chemistry

Query CAS Common Chemistry for compound names, CAS Registry Numbers®, molecular formula, mass, SMILES, InChI, and experimental properties. Covers nearly 500,000 compounds (CC BY-NC 4.0).

API access: Request a free API key at https://www.cas.org/services/commonchemistry-api. The script works without a key for public endpoints; if CAS requires a key, set CAS_API_KEY or use ~/.scienceclaw/cas_config.json.

Overview

  • Search by compound name (supports trailing wildcard, e.g. aspirin*), CAS RN, SMILES, or InChI/InChIKey
  • Get detail: name, formula, mass, InChI, SMILES, experimental properties (e.g. melting point, density)
  • Reference: references/cas-common-chemistry-api.md

Usage

Search by name
bash
python3 {baseDir}/scripts/cas_search.py --query "aspirin"
Get detail by CAS Registry Number
bash
python3 {baseDir}/scripts/cas_search.py --cas "50-78-2"
Search with wildcard
bash
python3 {baseDir}/scripts/cas_search.py --query "atrazin*"
JSON output
bash
python3 {baseDir}/scripts/cas_search.py --query "caffeine" --format json

Parameters

ParameterDescriptionDefault
--queryName, SMILES, or InChI (name supports trailing *)-
--casCAS Registry Number (e.g. 50-78-2)-
--max-resultsMax search results10
--formatsummary, detailed, jsonsummary

Output

  • Summary: CAS RN, name, formula, molecular mass, SMILES
  • Detailed: Adds InChI, InChIKey, experimental properties, synonyms
  • JSON: Full API response

Notes

© lamm-mit, Apache-2.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

SKILL.md and 3 other files (scripts, references) in skills/cas of lamm-mit/scienceclaw.

  • SKILL.md
  • references/cas-common-chemistry-api.md
  • scripts/__pycache__/cas_search.cpython-313.pyc
  • scripts/cas_search.py

Open the folder on GitHubat commit ab9aba1

Compare with similar skills

Cas next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Cas compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Cas this skilllamm-mit/scienceclaw244—~504Automated safety check: PassApache-2.0
MolecodeAtomFlow-AI/MoleCode305—~1.9kAutomated safety check: PassMIT
Drug DiscoveryTommy-yw/RunbookHermes5461 repos~2.3kAutomated safety check: PassMIT
DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills48k1 repos~3kAutomated safety check: NotesMIT
Biomedical Analysis Dispatchxjtulyc/MedgeClaw6171 repos~2kAutomated safety check: PassNone
Edu Chem Reactionwy51ai/edulab1.4k—~1.2kAutomated safety check: PassApache-2.0

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Questions about Cas

What does Cas do?

Look up chemicals in CAS Common Chemistry (name, CAS RN, SMILES, InChI; ~500k compounds). Cas is an agent skill from lamm-mit/scienceclaw.

When should I use Cas?

Cas fits situations like: tasks that involve Drug discovery and cheminformatics.

How do I install Cas in Claude Code?

Run `npx skills add lamm-mit/scienceclaw --skill cas -a claude-code`. Or copy the skill folder (skills/cas in lamm-mit/scienceclaw) into .claude/skills/cas in your project. Claude Code loads it when a task matches its description.

How do I install Cas in Codex?

Run `npx skills add lamm-mit/scienceclaw --skill cas -a codex`. Or copy the skill folder (skills/cas in lamm-mit/scienceclaw) into .agents/skills/cas in your project. Codex loads it when a task matches its description.

Can I use Cas in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add lamm-mit/scienceclaw --skill cas -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/cas, .gemini/skills/cas, .github/skills/cas and .opencode/skills/cas in your project.

What does Cas need to run?

Going by SKILL.md and its folder, Cas needs Python for the scripts in its folder, the command-line tools its instructions call (python3) and credentials named CAS_API_KEY. Our summary lists: Python 3; A credential in CAS_API_KEY.

Does Cas access the network?

SKILL.md names 2 domains. As links in the text: cas.org and commonchemistry.cas.org. This is read from the text; nothing was executed.

Is Cas safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.

What licence does Cas use?

Cas is published under the Apache-2.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Cas use?

About 504 tokens (SKILL.md is roughly 2k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 839 tokens, read only when the agent opens those files.

What are the alternatives to Cas?

Skills that share tags, products or a category with Cas: Molecode (AtomFlow-AI/MoleCode, 305 stars), Drug Discovery (Tommy-yw/RunbookHermes, 546 stars), DiffDock Molecular Docking (K-Dense-AI/scientific-agent-skills, 48k stars) and Biomedical Analysis Dispatch (xjtulyc/MedgeClaw, 617 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Cas?

lamm-mit (a GitHub user) maintains it in lamm-mit/scienceclaw, which has 244 GitHub stars. The repository holds 85 skills in this directory. The repository was last updated on August 21, 2026.

Source: lamm-mit/scienceclaw on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.