Agent skill

Orca Router

Routes ORCA calculation requests to opt, nebts, or freq sub-skills.

AGPL-3.0Auto-check passed

Install Orca Router

skills CLI

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

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

GitHub CLI

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

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 orca-router -a codex

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

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG orca-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/orca .agents/skills/orca-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 "orca-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/orca into .agents/skills/orca-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "orca-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 orca-router -a cursor

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

GitHub CLI

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

--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 orca-router -a gemini-cli

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

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG orca-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/orca .gemini/skills/orca-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 "orca-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/orca into .gemini/skills/orca-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "orca-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 orca-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 orca-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/orca .github/skills/orca-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 "orca-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/orca into .github/skills/orca-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "orca-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 orca-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 orca-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/orca .opencode/skills/orca-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 "orca-router" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/orca into .opencode/skills/orca-router/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "orca-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: orca-router
GitHub stars: 205
Token cost: ~1.1k tokens
SKILL.md length: 378 words
Files: 1
Skills in repo: 75
Repo updated: Sep 22, 2026
First seen: Oct 7, 2026
Licence: AGPL-3.0

At a glance

Routes ORCA calculation requests to opt, nebts, or freq sub-skills.

Works in 4 steps: Does the user want to find a transition… → Does the user want vibrational… → Does the user want to optimize a… → …
SKILL.md covers When to Use, ORCA-Specific Policies, MCP Tool Examples and Routing Decision Tree, plus 1 more section
Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Orca Router is an agent skill from Hello-QM/catgo-LRG. Routes ORCA calculation requests to opt, nebts, or freq sub-skills. Enforces ORCA-specific policies for method, basis set, charge, and multiplicity.

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.

Example prompts

“Use the orca-router skill to route ORCA calculation requests to opt, nebts, or freq sub-skills”
“/orca-router”

Workflow steps

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

Does the user want to find a transition state or reaction barrier?
Does the user want vibrational frequencies, IR spectrum, or thermochemistry?
Does the user want to optimize a geometry or get an energy?
Unsure? Ask the user what property they need.

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).
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

Orca Router loads about 1.1k tokens when it runs. Until then it costs about 40 tokens; SKILL.md has 378 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it: ~40
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). 378 words, ~1,063 tokens.

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

name: orca-router
description: Routes ORCA calculation requests to opt, neb_ts, or freq sub-skills. Enforces ORCA-specific policies for method, basis set, charge, and multiplicity.

ORCA Router Skill

When to Use

Use this skill when the user requests any ORCA-based calculation. Route to the appropriate sub-skill based on what the user needs:

User intent	Route to
Geometry optimization, energy minimization	`orca/opt`
Transition state, NEB, reaction barrier	`orca/neb_ts`
Vibrational frequencies, IR spectrum, thermochemistry	`orca/freq`

ORCA-Specific Policies

Method and Basis Set Defaults

Always set software: "orca" in workflow node params. Default method/basis combinations by use case:

Use case	Method	Basis	Notes
General organic	B3LYP	def2-SVP	Good balance of cost/accuracy
Production organic	B3LYP	def2-TZVP	Publication quality
Transition metals	PBE0	def2-SVP	Better for d-electrons
Weak interactions	B3LYP-D3BJ	def2-TZVP	Dispersion-corrected
Quick screening	HF-3c	(built-in)	Composite, very fast
Accurate energies	DLPNO-CCSD(T)	cc-pVTZ	Gold standard, expensive

Charge and Multiplicity

ORCA requires explicit charge and multiplicity for every calculation. Always ask the user or infer from the structure:

Neutral closed-shell: charge: 0, multiplicity: 1
Radical (one unpaired e-): charge: 0, multiplicity: 2
Anion: charge: -1, multiplicity: 1 (or 2 if radical anion)
Cation: charge: 1, multiplicity: 1 (or 2 if radical cation)
Transition metal complexes: determine from d-electron count and ligand field

If unsure, ask the user. Never guess multiplicity for open-shell systems.

Solvent Models

ORCA supports implicit solvation via CPCM:

orca_extra_keywords: "CPCM(Water)"

Common solvents: Water, Acetonitrile, DMSO, THF, Toluene, DCM.

MCP Tool Examples

Check what the user has loaded

json

catgo_view(action: "get_state")

Always check the viewer state first to confirm a molecular structure is loaded (not a periodic crystal -- ORCA is for molecular calculations).

Show full SKILL.md (141 more words)Show less

Create an ORCA optimization workflow

json

catgo_workflow_engine(action: "create", params: {
  name: "Ethanol B3LYP optimization"
})

Then add an ORCA geo_opt task (see orca/opt skill for full details):

json

catgo_workflow_engine(action: "add_task", params: {
  workflow_id: "<wf_id>",
  task_type: "geo_opt",
  params: {
    software: "orca",
    orca_method: "B3LYP",
    orca_basis: "def2-SVP",
    charge: 0,
    multiplicity: 1
  }
})

Create an ORCA frequency workflow

json

catgo_workflow_engine(action: "add_task", params: {
  workflow_id: "<wf_id>",
  task_type: "freq",
  params: {
    software: "orca",
    orca_method: "B3LYP",
    orca_basis: "def2-SVP",
    charge: 0,
    multiplicity: 1
  }
})

Opt + Freq chain (common pattern)

After creating the workflow, add both tasks and connect them:

json

catgo_workflow_engine(action: "add_task", params: {
  workflow_id: "<wf_id>",
  task_type: "geo_opt",
  task_id: "opt1",
  params: { software: "orca", orca_method: "B3LYP", orca_basis: "def2-SVP",
            charge: 0, multiplicity: 1 }
})

json

catgo_workflow_engine(action: "add_task", params: {
  workflow_id: "<wf_id>",
  task_type: "freq",
  depends_on: ["opt1"],
  params: { software: "orca", orca_method: "B3LYP", orca_basis: "def2-SVP",
            charge: 0, multiplicity: 1 }
})

Routing Decision Tree

Does the user want to find a transition state or reaction barrier?
- YES -> route to orca/neb_ts
Does the user want vibrational frequencies, IR spectrum, or thermochemistry?
- YES -> route to orca/freq
Does the user want to optimize a geometry or get an energy?
- YES -> route to orca/opt
Unsure? Ask the user what property they need.

Common Mistakes

Using ORCA for periodic systems (ORCA is molecular only -- use VASP or CP2K)
Forgetting charge/multiplicity (ORCA will fail or give wrong results)
Using too large a basis for initial screening (start with def2-SVP)
Not including dispersion for systems with non-covalent interactions

Files

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

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Orca 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.

Orca Router compared with similar skills
Skill	Stars	Used in	Tokens	Auto-check	Licence	Repo updated
Orca Router this skillHello-QM/catgo-LRG	205	—	~1.1k	Automated safety check: Pass	AGPL-3.0	18 days ago
Router Onweave-os/router	5.6k	—	~169	Automated safety check: Pass	Apache-2.0	today
Acp Routeropenclaw/openclaw	392k	—	~2.4k	Automated safety check: Pass	MIT	today
Router Offweave-os/router	5.6k	—	~183	Automated safety check: Pass	Apache-2.0	today
OmniRoute Routing CLIdiegosouzapw/OmniRoute	75k	—	~342	Automated safety check: Pass	MIT	today
OmniRoute Combo Routingdiegosouzapw/OmniRoute	75k	—	~2.1k	Automated safety check: Pass	MIT	today

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Questions about Orca Router

What does Orca Router do?

Routes ORCA calculation requests to opt, nebts, or freq sub-skills. Orca Router is an agent skill from Hello-QM/catgo-LRG. Routes ORCA calculation requests to opt, nebts, or freq sub-skills.

How do I install Orca Router in Claude Code?

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

How do I install Orca Router in Codex?

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

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

What does Orca Router need to run?

SKILL.md names no scripts, command-line tools or credentials: Orca Router is instructions for the agent only.

Does Orca 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 Orca 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 Orca Router use?

Orca 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 Orca Router use?

About 1.1k tokens (SKILL.md is roughly 4.3k 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 Orca Router?

Skills that share tags, products or a category with Orca Router: Router On (weave-os/router, 5.6k stars), Acp Router (openclaw/openclaw, 392k stars), Router Off (weave-os/router, 5.6k stars) and OmniRoute Routing CLI (diegosouzapw/OmniRoute, 75k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Orca 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 Orca Router

Facts

At a glance

What it does

Example prompts

Workflow steps

What it can do on your machine

Tool permissions

Runs code

Network

Credentials

Context cost

Safety

SKILL.md

ORCA Router Skill

When to Use

ORCA-Specific Policies

Method and Basis Set Defaults

Charge and Multiplicity

Solvent Models

MCP Tool Examples

Check what the user has loaded

Create an ORCA optimization workflow

Create an ORCA frequency workflow

Opt + Freq chain (common pattern)

Routing Decision Tree

Common Mistakes

Files

Compare with similar skills

Similar skills

More from Hello-QM/catgo-LRG

Questions about Orca Router