Agent skill

Analysis Router

by Hello-QM in Hello-QM/catgo-LRG

A skill your agent uses when the user asks to analyze computational results: Gibbs free energy, OER/HER/CO2RR overpotentials, adsorption energy, convergence tests, DOS/d-band analysis, or Bader…

AGPL-3.0Auto-check passed

Install Analysis Router

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

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

GitHub CLI
$ gh skill install Hello-QM/catgo-LRG analysis-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/analysis .claude/skills/analysis-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/

Facts

Skill name
analysis-router
GitHub stars
205
Token cost
~869 tokens
SKILL.md length
248 words
Files
1
Skills in repo
75
Repo updated
First seen
Licence
AGPL-3.0

At a glance

A skill your agent uses when the user asks to analyze computational results: Gibbs free energy, OER/HER/CO2RR overpotentials, adsorption energy, convergence tests, DOS/d-band analysis, or Bader…

  • Works in 4 steps: Always run geo_opt before freq --… → For surface calculations, always use… → Gibbs energy needs both energy (from… → …
  • The user asks to analyze computational results: Gibbs free energy
  • SKILL.md covers Routing Table, MCP Tool: catgo_analyze, MCP Tool: catgo_workflow_engine and Python API Pattern, plus 2 more sections
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Analysis Router is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to analyze computational results: Gibbs free energy, OER/HER/CO2RR overpotentials, adsorption energy, convergence tests, DOS/d-band analysis, or Bader charge analysis.

Its SKILL.md is about 870 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 analyze computational results: Gibbs free energy
  • OER/HER/CO2RR overpotentials
  • Adsorption energy
  • Convergence tests

Example prompts

  • “/analysis-router”

Requirements

  • Python 3

Workflow steps

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

  1. Always run geo_opt before freq -- frequencies on unrelaxed structures are meaningless.
  2. For surface calculations, always use freeze_mode="layers" in freq to avoid
  3. Gibbs energy needs both energy (from geo_opt) and frequencies (from freq) --
  4. Convergence tests use single_point (not geo_opt) to isolate the parameter effect.

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

Analysis Router loads about 869 tokens when it runs. Until then it costs about 52 tokens; SKILL.md has 248 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~52
When it runs · the whole SKILL.md, loaded when a task matches
~869

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). 248 words, ~869 tokens.

Download SKILL.mdSave it as .claude/skills/analysis-router/SKILL.md (or your agent's skills folder).
name
analysis-router
description
Use when the user asks to analyze computational results: Gibbs free energy, OER/HER/CO2RR overpotentials, adsorption energy, convergence tests, DOS/d-band analysis, or Bader charge analysis.

Analysis Router

This skill routes analysis requests to the correct sub-skill based on what the user is asking for.

Routing Table

User IntentSub-SkillKey Indicators
Gibbs free energy, ZPE, thermal correctionsgibbs/"free energy", "ZPE", "entropy", "thermal"
OER overpotentialoer/"OER", "oxygen evolution", "water splitting anode"
HER overpotentialher/"HER", "hydrogen evolution", "water splitting cathode"
CO2 reductionco2rr/"CO2RR", "CO2 reduction", "carbon dioxide"
Adsorption energyadsorption/"adsorption energy", "binding energy", "E_ads"
ENCUT/KPOINTS convergenceconvergence/"convergence", "ENCUT test", "k-point test"
DOS, d-band center, PDOSdos_analysis/"DOS", "d-band", "PDOS", "density of states"
Bader chargecharge/"Bader", "charge transfer", "charge analysis"
MACE Ni benchmark (Kreitz 2021)mace_ni_benchmark/"Kreitz", "MACE Ni benchmark", "MLP vs DFT-D3 on Ni"

MCP Tool: catgo_analyze

All analysis actions use the catgo_analyze tool with an action parameter.

json
{"tool": "catgo_analyze", "arguments": {"action": "convergence", ...}}
{"tool": "catgo_analyze", "arguments": {"action": "frequencies", ...}}
{"tool": "catgo_analyze", "arguments": {"action": "forces", ...}}

MCP Tool: catgo_workflow_engine

Most analysis workflows are built as DAGs using the workflow tool.

json
{"tool": "catgo_workflow_engine", "arguments": {"action": "create", "name": "Analysis WF"}}
{"tool": "catgo_workflow_engine", "arguments": {"action": "add_task", "workflow_id": "...", "task_type": "gibbs_energy", ...}}

Python API Pattern

All analysis workflows follow the same skeleton:

python
from catgo.workflow import Workflow

wf = Workflow("Analysis name")

# 1. Input structure
inp = wf.add_task("structure_input", structure=structure_json)

# 2. Compute (geo_opt, single_point, freq, etc.)
opt = wf.add_task("geo_opt", structure=inp.output.structure, software="vasp")
frq = wf.add_task("freq", structure=opt.output.structure, software="vasp",
                   freeze_mode="layers", freeze_layers=4)

# 3. Analyze (gibbs_energy, dos_analysis, charge_analysis, etc.)
gib = wf.add_task("gibbs_energy", energy=opt.output.energy,
                   frequencies=frq.output.frequencies, phase="adsorbed")

wf.submit()

Decision Guide

  • Single intermediate (H*, OH) --> her/, adsorption/
  • Multiple intermediates in reaction pathway --> oer/, co2rr/
  • Parameter sweep, no reaction --> convergence/
  • Post-processing existing calculation --> dos_analysis/, charge/
  • Converting DFT energy to thermodynamic quantity --> gibbs/

Common Pitfalls

  1. Always run geo_opt before freq -- frequencies on unrelaxed structures are meaningless.
  2. For surface calculations, always use freeze_mode="layers" in freq to avoid imaginary frequencies from slab bottom atoms.
  3. Gibbs energy needs both energy (from geo_opt) and frequencies (from freq) -- these come from separate tasks connected via output references.
  4. Convergence tests use single_point (not geo_opt) to isolate the parameter effect.

© Hello-QM, AGPL-3.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

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

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Analysis 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.

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Analysis Router this skillHello-QM/catgo-LRG205—~869Automated safety check: PassAGPL-3.0
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Router Onweave-os/router5.6k—~169Automated safety check: PassApache-2.0
Router Offweave-os/router5.6k—~183Automated safety check: PassApache-2.0
Senior Computer Visiondavila7/claude-code-templates32k3 repos~1.4kAutomated safety check: PassMIT
Senior Computer Visionalirezarezvani/claude-skills28k2 repos~3.2kAutomated safety check: PassMIT

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Questions about Analysis Router

What does Analysis Router do?

A skill your agent uses when the user asks to analyze computational results: Gibbs free energy, OER/HER/CO2RR overpotentials, adsorption energy, convergence tests, DOS/d-band analysis, or Bader…. Analysis Router is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to analyze computational results: Gibbs free energy, OER/HER/CO2RR overpotentials, adsorption energy, convergence tests, DOS/d-band analysis, or Bader charge analysis.

When should I use Analysis Router?

Analysis Router fits situations like: the user asks to analyze computational results: Gibbs free energy; OER/HER/CO2RR overpotentials; adsorption energy; convergence tests.

How do I install Analysis Router in Claude Code?

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

How do I install Analysis Router in Codex?

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

Can I use Analysis 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 analysis-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/analysis-router, .gemini/skills/analysis-router, .github/skills/analysis-router and .opencode/skills/analysis-router in your project.

What does Analysis Router need to run?

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

Does Analysis 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 Analysis 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 Analysis Router use?

Analysis 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 Analysis Router use?

About 869 tokens (SKILL.md is roughly 3.5k 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 Analysis Router?

Skills that share tags, products or a category with Analysis Router: Ito Compute (affaan-m/ECC, 275k stars), Router On (weave-os/router, 5.6k stars), Router Off (weave-os/router, 5.6k stars) and Senior Computer Vision (davila7/claude-code-templates, 32k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Analysis 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.