Agent skill

Structure Router

A skill your agent uses when the user asks to build, modify, or prepare atomic structures: slabs, adsorbates, supercells, doping, defects, or fetching from databases.

AGPL-3.0Auto-check passed

Install Structure Router

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill structure-router -a claude-code

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

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG structure-router --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/Hello-QM/catgo-LRG.git skills-src && mkdir -p .claude/skills && cp -r skills-src/server/catgo/workflow/skills/structure .claude/skills/structure-router && 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/

Paste into Claude Code

Install the "structure-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/structure into .claude/skills/structure-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "structure-router", then confirm the skill loads.

Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

$skill-installer

$skill-installer install https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/structure

Type this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill structure-router -a codex

Project install goes to .agents/skills/; add -g for ~/.codex/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG structure-router --agent codex

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .agents/skills && cp -r skills-src/server/catgo/workflow/skills/structure .agents/skills/structure-router && rm -rf skills-src

Use ~/.agents/skills/ instead of .agents/skills for a personal install.

Codex skills documentation · loads skills from .agents/skills/

Paste into Codex

Install the "structure-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/structure into .agents/skills/structure-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "structure-router", then confirm the skill loads.

Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill structure-router -a cursor

Project install goes to .agents/skills/; add -g for ~/.cursor/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG structure-router --agent cursor

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/server/catgo/workflow/skills/structure .cursor/skills/structure-router && rm -rf skills-src

Use ~/.cursor/skills/ instead of .cursor/skills for a personal install.

Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/

Paste into Cursor

Install the "structure-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/structure into .cursor/skills/structure-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "structure-router", then confirm the skill loads.

Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

gemini skills install

$ gemini skills install https://github.com/Hello-QM/catgo-LRG.git --path server/catgo/workflow/skills/structure

--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill structure-router -a gemini-cli

Project install goes to .agents/skills/; add -g for ~/.gemini/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG structure-router --agent gemini-cli

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/server/catgo/workflow/skills/structure .gemini/skills/structure-router && rm -rf skills-src

Use ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.

Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/

Paste into Gemini CLI

Install the "structure-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/structure into .gemini/skills/structure-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "structure-router", then confirm the skill loads.

Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG structure-router

Installs for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill structure-router -a github-copilot

Project install goes to .agents/skills/; add -g for ~/.copilot/skills/.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .github/skills && cp -r skills-src/server/catgo/workflow/skills/structure .github/skills/structure-router && rm -rf skills-src

Use ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.

GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/

Paste into GitHub Copilot

Install the "structure-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/structure into .github/skills/structure-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "structure-router", then confirm the skill loads.

GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill structure-router -a opencode

OpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG structure-router --agent opencode

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/server/catgo/workflow/skills/structure .opencode/skills/structure-router && rm -rf skills-src

Use ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.

OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/

Paste into OpenCode

Install the "structure-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/structure into .opencode/skills/structure-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "structure-router", then confirm the skill loads.

OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

Facts

Skill name: structure-router
GitHub stars: 205
Token cost: ~1.1k tokens
SKILL.md length: 255 words
Files: 1
Skills in repo: 75
Repo updated: Sep 22, 2026
First seen: Oct 7, 2026
Licence: AGPL-3.0

At a glance

A skill your agent uses when the user asks to build, modify, or prepare atomic structures: slabs, adsorbates, supercells, doping, defects, or fetching from databases.

Works in 5 steps: Atom count: expected number of atoms for… → Vacuum: sufficient vacuum for surface… → No overlaps: minimum interatomic… → …
The user asks to build
SKILL.md covers Routing Table, MCP Tools, Standard Build Sequence and Python API, plus 2 more sections
Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Structure Router is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to build, modify, or prepare atomic structures: slabs, adsorbates, supercells, doping, defects, or fetching from databases.

Its SKILL.md is about 1.1k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

The repository describes itself as: AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission… The licence is AGPL-3.0.

When your agent uses it

The user asks to build
Prepare atomic structures: slabs
Fetching from databases

Example prompts

“/structure-router”

Requirements

Python 3

Workflow steps

5 steps, taken from the first numbered list in SKILL.md.

Atom count: expected number of atoms for the supercell size
Vacuum: sufficient vacuum for surface calculations (>12 A)
No overlaps: minimum interatomic distance > 0.5 A
Correct composition: stoichiometry matches expectation
Adsorbate position: reasonable height above surface (1.5-2.5 A)

What it can do on your machine

Read from SKILL.md and the folder at commit fd6291b. 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
No scripts in the folder and no shell commands in SKILL.md (its code samples are json and python).
From the folder's file list and the shell code blocks in SKILL.md.
Network
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Credentials
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Structure Router loads about 1.1k tokens when it runs. Until then it costs about 41 tokens; SKILL.md has 255 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it: ~41
When it runs · the whole SKILL.md, loaded when a task matches: ~1.1k

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); files beside SKILL.md are not scanned.

SKILL.md

The full file from Hello-QM/catgo-LRG at commit fd6291b, republished under its AGPL-3.0 licence (© Hello-QM). 255 words, ~1,119 tokens.

Download SKILL.mdSave it as .claude/skills/structure-router/SKILL.md (or your agent's skills folder).

name: structure-router
description: Use when the user asks to build, modify, or prepare atomic structures: slabs, adsorbates, supercells, doping, defects, or fetching from databases.

Structure Building Router

This skill routes structure building requests to the correct sub-skill.

Routing Table

User Intent	Sub-Skill	Key Indicators
Surface slab from bulk	`slab/`	"slab", "surface", "Miller index", "(111)", "(110)"
Place adsorbate on surface	`adsorbate/`	"adsorb", "place OH", "add CO", "binding site"
Substitutional doping	`doping/`	"dope", "substitute", "replace Fe with Co"
Fetch crystal from database	(direct)	"get from MP", "fetch TiO2", "Materials Project"
Fetch molecule	(direct)	"get CO molecule", "fetch water"
Make supercell	(direct)	"supercell", "2x2x1", "expand"

MCP Tools

catgo_structure — Build and modify structures

json

{"tool": "catgo_structure", "arguments": {"action": "slab", ...}}
{"tool": "catgo_structure", "arguments": {"action": "supercell", ...}}
{"tool": "catgo_structure", "arguments": {"action": "add_atom", ...}}
{"tool": "catgo_structure", "arguments": {"action": "delete_atoms", ...}}
{"tool": "catgo_structure", "arguments": {"action": "replace_atom", ...}}

catgo_fetch — Retrieve structures from databases

json

{"tool": "catgo_fetch", "arguments": {"action": "crystal", "formula": "TiO2", "source": "mp"}}
{"tool": "catgo_fetch", "arguments": {"action": "molecule", "name": "water"}}

catgo_view — Inspect and push structures

json

{"tool": "catgo_view", "arguments": {"action": "get_state"}}
{"tool": "catgo_view", "arguments": {"action": "push", "structure": {...}}}

Standard Build Sequence

Most catalysis workflows follow this structure preparation pipeline:

1. Fetch bulk crystal      catgo_fetch(action: crystal)
2. Generate slab           catgo_structure(action: slab)
3. Make supercell          catgo_structure(action: supercell)
4. (Optional) Dope         catgo_structure(action: replace_atom)
5. Place adsorbate         catgo_structure(action: add_atom)
6. Verify structure        catgo_view(action: get_state)

Example: OH on Pt(111)

json

{"tool": "catgo_fetch", "arguments": {
  "action": "crystal", "formula": "Pt", "source": "mp"
}}

json

{"tool": "catgo_structure", "arguments": {
  "action": "slab", "miller_index": [1,1,1],
  "min_slab_size": 12.0, "min_vacuum_size": 15.0
}}

json

{"tool": "catgo_structure", "arguments": {
  "action": "supercell", "scaling": [2, 2, 1]
}}

json

{"tool": "catgo_structure", "arguments": {
  "action": "add_atom", "element": "O", "position": [2.77, 1.60, 14.5]
}}

json

{"tool": "catgo_structure", "arguments": {
  "action": "add_atom", "element": "H", "position": [2.77, 1.60, 15.47]
}}

json

{"tool": "catgo_view", "arguments": {"action": "get_state"}}

Python API

python

from catgo.workflow import Workflow

wf = Workflow("Structure prep")

# Fetch and input
inp = wf.add_task("structure_input", structure=bulk_json)

# Build slab
slab = wf.add_task("slab_gen",
    structure=inp.output.structure,
    miller_index=[1, 1, 1],
    min_slab_size=12.0,
    min_vacuum_size=15.0)

# Place adsorbate
ads = wf.add_task("adsorbate_place",
    structure=slab.output.structure,
    adsorbate="OH",
    site_type="top",
    site_index=0)

Verification Checklist

After building any structure, verify:

Atom count: expected number of atoms for the supercell size
Vacuum: sufficient vacuum for surface calculations (>12 A)
No overlaps: minimum interatomic distance > 0.5 A
Correct composition: stoichiometry matches expectation
Adsorbate position: reasonable height above surface (1.5-2.5 A)

Use catgo_view(action: get_state) to inspect the current structure.

Common Pitfalls

Always fetch the bulk crystal BEFORE cutting a slab. Do not try to cut a slab from an already-cut slab.
Make the supercell BEFORE placing adsorbates. Supercell operation replicates all atoms, including adsorbates.
For Materials Project fetch, use reduced formula (e.g., "TiO2" not "Ti2O4").
After each structure modification, verify with catgo_view before proceeding to the next step.
The viewer shows the structure in the browser. MCP tools modify the viewer state directly -- there is no separate "save" step.

Files

Just SKILL.md in server/catgo/workflow/skills/structure of Hello-QM/catgo-LRG.

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Structure Router 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.

Structure Router compared with similar skills
Skill	Stars	Used in	Tokens	Auto-check	Licence	Repo updated
Structure Router this skillHello-QM/catgo-LRG	205	—	~1.1k	Automated safety check: Pass	AGPL-3.0	16 days ago
Compose Atomslobehub/lobehub	83k	—	~2.6k	Automated safety check: Pass	Custom licence	yesterday
Audit Preparationsickn33/agentic-awesome-skills	47k	1 repos	~5.3k	Automated safety check: Pass	MIT	yesterday
Router Onweave-os/router	5.6k	—	~169	Automated safety check: Pass	Apache-2.0	yesterday
Router Offweave-os/router	5.6k	—	~183	Automated safety check: Pass	Apache-2.0	yesterday
Acp Routeropenclaw/openclaw	392k	—	~2.4k	Automated safety check: Pass	MIT	yesterday

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Questions about Structure Router

What does Structure Router do?

A skill your agent uses when the user asks to build, modify, or prepare atomic structures: slabs, adsorbates, supercells, doping, defects, or fetching from databases. Structure Router is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to build, modify, or prepare atomic structures: slabs, adsorbates, supercells, doping, defects, or fetching from databases.

When should I use Structure Router?

Structure Router fits situations like: the user asks to build; prepare atomic structures: slabs; fetching from databases.

How do I install Structure Router in Claude Code?

Run `npx skills add Hello-QM/catgo-LRG --skill structure-router -a claude-code`. Or copy the skill folder (server/catgo/workflow/skills/structure in Hello-QM/catgo-LRG) into .claude/skills/structure-router in your project. Claude Code loads it when a task matches its description.

How do I install Structure Router in Codex?

Run `npx skills add Hello-QM/catgo-LRG --skill structure-router -a codex`. Or copy the skill folder (server/catgo/workflow/skills/structure in Hello-QM/catgo-LRG) into .agents/skills/structure-router in your project. Codex loads it when a task matches its description.

Can I use Structure Router 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 Hello-QM/catgo-LRG --skill structure-router -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/structure-router, .gemini/skills/structure-router, .github/skills/structure-router and .opencode/skills/structure-router in your project.

What does Structure Router need to run?

SKILL.md names no scripts, command-line tools or credentials: Structure Router is instructions for the agent only. Our summary lists: Python 3.

Does Structure Router access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Structure Router 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. Review the folder before installing.

What licence does Structure Router use?

Structure Router is published under the AGPL-3.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Structure Router use?

About 1.1k tokens (SKILL.md is roughly 4.5k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Structure Router?

Skills that share tags, products or a category with Structure Router: Compose Atoms (lobehub/lobehub, 83k stars), Audit Preparation (sickn33/agentic-awesome-skills, 47k stars), Router On (weave-os/router, 5.6k stars) and Router Off (weave-os/router, 5.6k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Structure Router?

Hello-QM (a GitHub user) maintains it in Hello-QM/catgo-LRG, which has 205 GitHub stars. The repository holds 75 skills in this directory. The repository was last updated on September 22, 2026.

Source: Hello-QM/catgo-LRG on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.

Install Structure Router

Facts

At a glance

What it does

When your agent uses it

Example prompts

Requirements

Workflow steps

What it can do on your machine

Tool permissions

Runs code

Network

Credentials

Context cost

Safety

SKILL.md

Structure Building Router

Routing Table

MCP Tools

catgo_structure — Build and modify structures

catgo_fetch — Retrieve structures from databases

catgo_view — Inspect and push structures

Standard Build Sequence

Example: OH on Pt(111)

Python API

Verification Checklist

Common Pitfalls

Files

Compare with similar skills

Similar skills

More from Hello-QM/catgo-LRG

Questions about Structure Router