Agent skill

Campaign Md Orchestration

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

Drive a file-first, agent-in-the-loop computational campaign via a folder + markdown tree (no DB).

AGPL-3.0Auto-check passedAgent Workflows

Install Campaign Md Orchestration

skills CLI
$ npx skills add Hello-QM/catgo-LRG --skill campaign-md-orchestration -a claude-code

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

GitHub CLI
$ gh skill install Hello-QM/catgo-LRG campaign-md-orchestration --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/campaign .claude/skills/campaign-md-orchestration && 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
campaign-md-orchestration
GitHub stars
205
Token cost
~1.6k tokens
SKILL.md length
768 words
Files
26 (incl. scripts, references)
Skills in repo
75
Repo updated
First seen
Licence
AGPL-3.0

At a glance

Drive a file-first, agent-in-the-loop computational campaign via a folder + markdown tree (no DB).

  • Works in 2 steps: Input-file gate (per submission). Before… → Stage / decision-point checkpoint. At a…
  • The user opts out of the visual workflow engine
  • SKILL.md covers When to use, Conventions, Setup gate — confirm the… and Gates (default…, plus 6 more sections
  • Runs Python scripts from its folder; calls python

What it does

Campaign Md Orchestration is an agent skill from Hello-QM/catgo-LRG. Drive a file-first, agent-in-the-loop computational campaign via a folder + markdown tree (no DB). Use when the user opts out of the visual workflow engine.

Its SKILL.md is about 1.6k tokens, which your agent loads only when the skill is triggered. The skill folder holds 27 other files, including scripts and reference files (for example `references/catgo-cli.md`, `scripts/INDEX.md` and `scripts/aggregate.py`).

It sits in Agent Workflows. 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 opts out of the visual workflow engine

Example prompts

  • “/campaign-md-orchestration”

Requirements

  • Python 3

Workflow steps

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

  1. Input-file gate (per submission). Before each submit_calc.py, show the
  2. Stage / decision-point checkpoint. At a stage end or a plan.md decision

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

    Ships 17 files in scripts/ (Python, from the files we listed), which the agent can run.

    Shell commands in SKILL.md call:

    • 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

Campaign Md Orchestration loads about 1.6k tokens when it runs, and up to ~2k if it reads all its reference files. Until then it costs about 46 tokens; SKILL.md has 768 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~46
When it runs · the whole SKILL.md, loaded when a task matches
~1.6k
With references · SKILL.md plus every file in references/, read only if the agent opens them
~2k

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 Hello-QM/catgo-LRG at commit fd6291b, republished under its AGPL-3.0 licence (© Hello-QM). 768 words, ~1,563 tokens.

Download SKILL.mdSave it as .claude/skills/campaign-md-orchestration/SKILL.md (or your agent's skills folder). This skill also uses 25 other files; get the full folder from GitHub.
name
campaign-md-orchestration
description
Drive a file-first, agent-in-the-loop computational campaign via a folder + markdown tree (no DB). Use when the user opts out of the visual workflow engine.

Campaign (md-orchestration) — agent playbook

TL;DR: Run multi-step HPC campaigns from a human-readable folder + markdown tree. You (the agent) read plan.md + STATUS.md, render inputs, submit via the reference scripts (plain ssh sbatch), update markdown, and check in at gates. No DB. Files are the source of truth.

When to use

The user chose md-orchestration over the visual workflow engine (exploratory / iterative / mixed-software / cross-cluster work). The visual DB engine still exists for fixed routines + teaching — don't use this skill for those.

Conventions

Authoring conventions (progressive md, README+INDEX pairs + keeping them current, logging interventions to LESSONS, human-readable/never-hash names, the top→stage→calc progressive plan, filling scaffold stubs) live in the catgo-campaign-conventions skill — follow it whenever you create/edit campaign markdown.

Setup gate — confirm the environment (NEVER guess)

Before submitting anything, confirm with the user and record in cluster.md: cluster identity + SSH host/account + partition/walltime/ntasks, the compute binary + load method (module/conda/full path + run command), the POTCAR root, the python env, and the remote base dir. The user may give a reference job script — local, or a path on the cluster (pull it with fetch_ref.py); CatGO adapts it instead of synthesizing the preamble. Run catgo_validate_config before the first submit. submit_calc.py refuses while cluster.md is incomplete — this is enforced in code, not just here. Never guess cluster paths.

Gates (default human-in-the-loop)

  1. Input-file gate (per submission). Before each submit_calc.py, show the user the rendered INCAR/POSCAR/KPOINTS/POTCAR/job.sb and ask to confirm. Run the script only after they confirm.
  2. Stage / decision-point checkpoint. At a stage end or a plan.md decision point, write a stage summary and ask: proceed / modify / stop.

YOLO / autopilot opt-in disables both gates. Set it only if the user says so per-run ("go as you set" / "yolo") or persistently ("always skip review"). With YOLO off and the user away, hold at the gate: keep polling running jobs but submit nothing new and cross no stage.

Plan creation — ask the user first

Before writing or finalizing plan.md, ASK the user how to create it — do not assume:

  • Brainstorm together — read literature/INDEX.md first, then ask clarifying questions ONE at a time (goal, candidate set, descriptor, funnel thresholds, reference systems), propose 2-3 stage / decision-point approaches with a recommendation, and write plan.md only after the user approves.
  • Template / direct — instantiate a template (e.g. saa_her) or generate plan.md from the user's stated intent, then let them review and edit it.

Default to asking. Skip the question only if the user already opted in ("just use the template" / "go as you set" / YOLO).

Derive the full pipeline from the TARGET OBSERVABLE — before building ANY input. Work backward from what the user wants to measure to every calc it requires, and write that into plan.md BEFORE scaffolding structures/inputs (the build order is: plan first, inputs second). Common traps:

  • Overpotential / free-energy diagram / ΔG / Gibbs / adsorption free energy ⇒ needs free energies, not raw DFT energies ⇒ follow the catgo-gibbs-pipeline skill (the per-species geo_opt → freq → gibbs pipeline, freq setup, gas-ref convention, CHE, η). Wire freq as the auto-next-step after each species' geo_opt in plan.md.
  • Reaction barriers / TS ⇒ NEB/dimer + a freq to confirm one imaginary mode.
  • Band gap / DOS / COHP ⇒ a dense-k static after relax. Confirm the full stage list with the user before building. Do NOT jump from "scope" to rendering inputs — discuss the plan (and its observables) first.
Show full SKILL.md (229 more words)Show less

The loop + resuming

Driving the ~10-min poll loop (delegate each poll to a subagent → compact summary; verify convergence by force; auto-advance each converged species per-species, pipeline not barrier; stage checkpoints) AND resuming a campaign from disk after compaction / a new session live in the catgo-campaign-loop skill. Gates stay with the main agent.

Scripts (in scripts/, see scripts/INDEX.md)

python new_campaign.py <dir> --name "<name>" --template saa_her|blank
python fetch_ref.py   --project <dir> --ssh <alias> --remote_path <cluster .sb>
python submit_calc.py --project <dir> --calc calc/<stage>/<candidate> --ssh <alias>
python poll.py        --project <dir> --ssh <alias>

Run them as-is (gates enforced), or read scripts/campaign_lib.py and adapt for the unforeseen (mixed software / odd clusters / novel calc types).

Archiving (explicit / propose — never auto-decide)

Keep the live tree clean by moving superseded/abandoned calcs into archive/, but NEVER guess what is stale: python archive.py --project <dir> --list proposes only STATUS=FAILED calcs (it does not move anything). Funnel rejects (a DONE calc with a high E_form) are kept — the ranking/volcano/funnel need them as data. Move one only on explicit user instruction: python archive.py --project <dir> --calc calc/<stage>/<name> --reason "..." (leaves a tombstone ARCHIVED.md at the original location).

catgo CLI during a campaign

Use the existing catgo CLI for the actual chemistry — see references/catgo-cli.md. Build structures (catgo slab/supercell/reticular/ convert/inspect) and analyze results (catgo dos/band/cohp/freq). These run offline (no viewer needed). Aggregate per-calc result.md files with scripts/aggregate.py; draft reports with scripts/make_report.py; ingest literature with scripts/ingest_lit.py.

Literature -> plan -> skill

Drop papers (PDF -> MinerU md) + GitHub repos into literature/; ground plan.md in them with citations. Mine reusable recipes into literature/extracted-skills.md; promote the best into the global SKILL library.

© 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

SKILL.md and 25 other files (scripts, references) in server/catgo/workflow/skills/campaign of Hello-QM/catgo-LRG.

  • SKILL.md
  • references/catgo-cli.md
  • scripts/INDEX.md
  • scripts/aggregate.py
  • scripts/archive.py
  • scripts/campaign_analysis.py
  • scripts/campaign_lib.py
  • scripts/campaign_lit.py
  • scripts/campaign_report.py
  • scripts/fetch_ref.py
  • scripts/ingest_lit.py
  • scripts/make_report.py
  • scripts/new_campaign.py
  • scripts/poll.py
  • scripts/submit_calc.py
  • scripts/test_campaign_analysis.py
  • scripts/test_campaign_lib.py
  • scripts/test_campaign_lit.py
  • scripts/test_campaign_report.py
  • … and 7 more

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Campaign Md Orchestration 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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Campaign Md Orchestration this skillHello-QM/catgo-LRG205—~1.6kAutomated safety check: PassAGPL-3.0
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Trellis ContinueROYIANS/foliq-print-template-designer1366 repos~554Automated safety check: PassMIT
Trellis StartROYIANS/foliq-print-template-designer1366 repos~646Automated safety check: PassMIT
Journal AdaptWantongC/journal-adapt-writing-skill7961 repos~5.2kAutomated safety check: PassMIT
Open Proseopenprose/prose1.8k—~7.3kAutomated safety check: NotesMIT

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Questions about Campaign Md Orchestration

What does Campaign Md Orchestration do?

Drive a file-first, agent-in-the-loop computational campaign via a folder + markdown tree (no DB). Campaign Md Orchestration is an agent skill from Hello-QM/catgo-LRG. Drive a file-first, agent-in-the-loop computational campaign via a folder + markdown tree (no DB).

When should I use Campaign Md Orchestration?

Campaign Md Orchestration fits situations like: the user opts out of the visual workflow engine.

How do I install Campaign Md Orchestration in Claude Code?

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

How do I install Campaign Md Orchestration in Codex?

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

Can I use Campaign Md Orchestration 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 campaign-md-orchestration -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/campaign-md-orchestration, .gemini/skills/campaign-md-orchestration, .github/skills/campaign-md-orchestration and .opencode/skills/campaign-md-orchestration in your project.

What does Campaign Md Orchestration need to run?

Going by SKILL.md and its folder, Campaign Md Orchestration needs Python for the scripts in its folder and the command-line tools its instructions call (python). Our summary lists: Python 3.

Does Campaign Md Orchestration 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 Campaign Md Orchestration 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 Campaign Md Orchestration use?

Campaign Md Orchestration 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 Campaign Md Orchestration use?

About 1.6k tokens (SKILL.md is roughly 6.3k 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 460 tokens, read only when the agent opens those files.

What are the alternatives to Campaign Md Orchestration?

Skills that share tags, products or a category with Campaign Md Orchestration: Plannotator Visual Explainer (backnotprop/plannotator, 9.3k stars), Trellis Continue (ROYIANS/foliq-print-template-designer, 136 stars), Trellis Start (ROYIANS/foliq-print-template-designer, 136 stars) and Journal Adapt (WantongC/journal-adapt-writing-skill, 796 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Campaign Md Orchestration?

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.