Archify Diagrams
tt-a1i/archify
Creates interactive architecture, workflow, sequence, data-flow and lifecycle diagrams as standalone HTML with inline SVG, themes and image or video export.
Compute adsorption/reaction Gibbs free energies, free-energy diagrams, and electrochemical overpotentials (HER/ORR/OER/CO2RR/NRR) with VASP.
Install Catgo Gibbs Pipeline
$ npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install Hello-QM/catgo-LRG catgo-gibbs-pipeline --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ 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/catgo-gibbs-pipeline .claude/skills/catgo-gibbs-pipeline && rm -rf skills-srcUse ~/.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/
Install the "catgo-gibbs-pipeline" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-gibbs-pipeline into .claude/skills/catgo-gibbs-pipeline/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "catgo-gibbs-pipeline", 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 install https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-gibbs-pipelineType 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.
$ npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install Hello-QM/catgo-LRG catgo-gibbs-pipeline --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ 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/catgo-gibbs-pipeline .agents/skills/catgo-gibbs-pipeline && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "catgo-gibbs-pipeline" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-gibbs-pipeline into .agents/skills/catgo-gibbs-pipeline/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "catgo-gibbs-pipeline", 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.
$ npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install Hello-QM/catgo-LRG catgo-gibbs-pipeline --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ 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/catgo-gibbs-pipeline .cursor/skills/catgo-gibbs-pipeline && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "catgo-gibbs-pipeline" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-gibbs-pipeline into .cursor/skills/catgo-gibbs-pipeline/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "catgo-gibbs-pipeline", 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 https://github.com/Hello-QM/catgo-LRG.git --path server/catgo/workflow/skills/catgo-gibbs-pipeline--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install Hello-QM/catgo-LRG catgo-gibbs-pipeline --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ 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/catgo-gibbs-pipeline .gemini/skills/catgo-gibbs-pipeline && rm -rf skills-srcUse ~/.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/
Install the "catgo-gibbs-pipeline" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-gibbs-pipeline into .gemini/skills/catgo-gibbs-pipeline/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "catgo-gibbs-pipeline", 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.
$ gh skill install Hello-QM/catgo-LRG catgo-gibbs-pipelineInstalls 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).
$ npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ 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/catgo-gibbs-pipeline .github/skills/catgo-gibbs-pipeline && rm -rf skills-srcUse ~/.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/
Install the "catgo-gibbs-pipeline" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-gibbs-pipeline into .github/skills/catgo-gibbs-pipeline/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "catgo-gibbs-pipeline", 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.
$ npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install Hello-QM/catgo-LRG catgo-gibbs-pipeline --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ 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/catgo-gibbs-pipeline .opencode/skills/catgo-gibbs-pipeline && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "catgo-gibbs-pipeline" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-gibbs-pipeline into .opencode/skills/catgo-gibbs-pipeline/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "catgo-gibbs-pipeline", 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
catgo-gibbs-pipeline- GitHub stars
- 205
- Token cost
- ~669 tokens
- SKILL.md length
- 282 words
- Files
- 4 (incl. scripts, references)
- Skills in repo
- 75
- Repo updated
- First seen
- Licence
- AGPL-3.0
At a glance
Compute adsorption/reaction Gibbs free energies, free-energy diagrams, and electrochemical overpotentials (HER/ORR/OER/CO2RR/NRR) with VASP.
- Works in 3 steps: geo_opt each species (force-converged) →… → catgo freq-inputs from each CONTCAR →… → Assemble ΔG_i along the pathway → U_L =…
- A studys target is a FREE energy (not raw DFT energy) — overpotential
- SKILL.md covers When to use, Core rules (the why), Bundled resources and Flow
- Runs Python scripts from its folder
What it does
Catgo Gibbs Pipeline is an agent skill from Hello-QM/catgo-LRG. Compute adsorption/reaction Gibbs free energies, free-energy diagrams, and electrochemical overpotentials (HER/ORR/OER/CO2RR/NRR) with VASP. The per-species pipeline is geoopt → freq → Gibbs; CHE references; ΔG → η. Use whenever a study's target is a FREE energy (not raw DFT energy) — overpotential, free-energy diagram, ΔG of adsorption/reaction, limiting potential. Pairs with the catgo-campaign skill for orchestration.
Its SKILL.md is about 670 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 `examples/orr-pt111.md`, `references/method.md` and `scripts/build_freq_inputs.py`).
It sits in Development, covering Diagrams. 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
- A studys target is a FREE energy (not raw DFT energy) — overpotential
- Free-energy diagram
- ΔG of adsorption/reaction
- Limiting potential
Example prompts
- “/catgo-gibbs-pipeline”
Requirements
- Python 3
Workflow steps
3 steps, taken from the first numbered list in SKILL.md.
- geo_opt each species (force-converged) → E.
- catgo freq-inputs from each CONTCAR → submit freq → catgo freq --mode adsorbed|gas
- Assemble ΔG_i along the pathway → U_L = max ΔG_i/e → η = |1.23 − U_L|; free-energy
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 1 file in scripts/ (Python), which the agent can run.
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
Catgo Gibbs Pipeline loads about 669 tokens when it runs, and up to ~2.1k if it reads all its reference files. Until then it costs about 111 tokens; SKILL.md has 282 words of instructions outside code blocks.
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). 282 words, ~669 tokens.
Download SKILL.mdSave it as
.claude/skills/catgo-gibbs-pipeline/SKILL.md (or your agent's skills folder). This skill also uses 3 other files; get the full folder from GitHub.- name
- catgo-gibbs-pipeline
- description
- Compute adsorption/reaction Gibbs free energies, free-energy diagrams, and electrochemical overpotentials (HER/ORR/OER/CO2RR/NRR) with VASP. The per-species pipeline is geo_opt → freq → Gibbs; CHE references; ΔG → η. Use whenever a study's target is a FREE energy (not raw DFT energy) — overpotential, free-energy diagram, ΔG of adsorption/reaction, limiting potential. Pairs with the catgo-campaign skill for orchestration.
catgo-gibbs-pipeline — adsorption/reaction free energies & overpotential
TL;DR: G = E_DFT + ZPE − TΔS. Every species in a ΔG needs geo_opt and freq. Per-species pipeline:
geo_opt → freq → Gibbs; assemble ΔG → η.
When to use
Any study whose target is a free energy — overpotential η, free-energy diagram, ΔG of adsorption/reaction, limiting potential (HER/ORR/OER/CO2RR/NRR, adsorption thermo). Raw geo_opt energies are NOT enough: add ZPE + TΔS from frequencies.
Core rules (the why)
- Free energy needs freq. Skipping freq gives wrong ΔG and wrong η.
- Per species, pipeline not barrier. Each species' freq fires as ITS geo_opt converges — don't wait for siblings, don't wait for a reminder.
- Convergence by force, not dE:
FORCES: max atom< |EDIFFG|. - CHE, not O2: G(H⁺+e⁻)=½G_H2; derive O/OH from H2O+H2; never compute O2.
- Gas refs cheap: Γ-only +
vasp_gamonshared; slabsvasp_std+ k-mesh oncompute.
Bundled resources
catgo freq-inputs— build a VASP freq input from a relaxed CONTCAR/POSCAR (adsorbate: fix surface, free adsorbate atoms; gas: all free). Runs from ANY directory:catgo freq-inputs --structure <CONTCAR> --out <dir> [--gas | --free-elements O,H]. Wrapsscripts/build_freq_inputs.py(call the script directly only ifcatgoisn't on PATH; resolve it as<this skill base>/scripts/build_freq_inputs.py, never a hardcoded~/.claude/...path).references/method.md— full thermo + freq setup + CHE/ORR/OER/HER pathway formulas + the η definition. Read for the exact equations.examples/orr-pt111.md— a worked ORR-on-Pt(111) instance (build freq, assemble η).
Flow
- geo_opt each species (force-converged) → E.
catgo freq-inputsfrom each CONTCAR → submit freq →catgo freq --mode adsorbed|gas→ ZPE + TΔS → G.- Assemble ΔG_i along the pathway → U_L = max ΔG_i/e → η = |1.23 − U_L|; free-energy
diagram + ΔG table. (Building blocks: the
vasp-freq,gibbs,her,oer,energy-diagramskills.)
In a CatGo campaign, wire this into plan.md and let the loop fire freq per species — see
the catgo-campaign + catgo-campaign-loop skills.
© 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 3 other files (scripts, references) in server/catgo/workflow/skills/catgo-gibbs-pipeline of Hello-QM/catgo-LRG.
- SKILL.md
- examples/orr-pt111.md
- references/method.md
- scripts/build_freq_inputs.py
Open the folder on GitHubat commit fd6291b
Compare with similar skills
Catgo Gibbs Pipeline 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.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| Catgo Gibbs Pipeline this skillHello-QM/catgo-LRG | 205 | — | ~669 | Automated safety check: Pass | AGPL-3.0 | |
| Archify Diagramstt-a1i/archify | 82k | — | ~2.9k | Automated safety check: Pass | MIT | |
| JSON Canvasheyitsnoah/claudesidian | 2.6k | 18 repos | ~3.5k | Automated safety check: Pass | MIT | |
| Diagram Designcathrynlavery/diagram-design | 49k | 1 repos | ~7.6k | Automated safety check: Pass | MIT | |
| Fireworks Tech Graphtisfeng/Easydict | 15k | 1 repos | ~1.4k | Automated safety check: Pass | MIT | |
| Excalidraw Diagramcoleam00/excalidraw-diagram-skill | 5k | 2 repos | ~6.1k | Automated safety check: Pass | None |
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Questions about Catgo Gibbs Pipeline
What does Catgo Gibbs Pipeline do?
Compute adsorption/reaction Gibbs free energies, free-energy diagrams, and electrochemical overpotentials (HER/ORR/OER/CO2RR/NRR) with VASP. Catgo Gibbs Pipeline is an agent skill from Hello-QM/catgo-LRG. Compute adsorption/reaction Gibbs free energies, free-energy diagrams, and electrochemical overpotentials (HER/ORR/OER/CO2RR/NRR) with VASP.
When should I use Catgo Gibbs Pipeline?
Catgo Gibbs Pipeline fits situations like: A studys target is a FREE energy (not raw DFT energy) — overpotential; free-energy diagram; ΔG of adsorption/reaction; limiting potential.
How do I install Catgo Gibbs Pipeline in Claude Code?
Run `npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a claude-code`. Or copy the skill folder (server/catgo/workflow/skills/catgo-gibbs-pipeline in Hello-QM/catgo-LRG) into .claude/skills/catgo-gibbs-pipeline in your project. Claude Code loads it when a task matches its description.
How do I install Catgo Gibbs Pipeline in Codex?
Run `npx skills add Hello-QM/catgo-LRG --skill catgo-gibbs-pipeline -a codex`. Or copy the skill folder (server/catgo/workflow/skills/catgo-gibbs-pipeline in Hello-QM/catgo-LRG) into .agents/skills/catgo-gibbs-pipeline in your project. Codex loads it when a task matches its description.
Can I use Catgo Gibbs Pipeline 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 catgo-gibbs-pipeline -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/catgo-gibbs-pipeline, .gemini/skills/catgo-gibbs-pipeline, .github/skills/catgo-gibbs-pipeline and .opencode/skills/catgo-gibbs-pipeline in your project.
What does Catgo Gibbs Pipeline need to run?
Going by SKILL.md and its folder, Catgo Gibbs Pipeline needs Python for the scripts in its folder. Our summary lists: Python 3.
Does Catgo Gibbs Pipeline 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 Catgo Gibbs Pipeline 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 Catgo Gibbs Pipeline use?
Catgo Gibbs Pipeline 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 Catgo Gibbs Pipeline use?
About 669 tokens (SKILL.md is roughly 2.7k 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 1.4k tokens, read only when the agent opens those files.
What are the alternatives to Catgo Gibbs Pipeline?
Skills that share tags, products or a category with Catgo Gibbs Pipeline: Archify Diagrams (tt-a1i/archify, 82k stars), JSON Canvas (heyitsnoah/claudesidian, 2.6k stars), Diagram Design (cathrynlavery/diagram-design, 49k stars) and Fireworks Tech Graph (tisfeng/Easydict, 15k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Catgo Gibbs Pipeline?
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.