Chemgraph
argonne-lcf/ChemGraph
Use ChemGraph Python and CLI workflows, agent-written batch scripts, and attached chemistry MCP tools.
Run, diagnose, reproduce, and validate ANSYS Fluent CFD simulations of forced-convection autoclaves using Fluent MCP or PyFluent.
Install Run Fluent Autoclave
$ npx skills add Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install Cai-aa/CAE-Agent-Hub run-fluent-autoclave --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/Cai-aa/CAE-Agent-Hub.git skills-src && mkdir -p .claude/skills && cp -r skills-src/Skill/Ansys/run-fluent-autoclave .claude/skills/run-fluent-autoclave && 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 "run-fluent-autoclave" agent skill from https://github.com/Cai-aa/CAE-Agent-Hub/tree/main/Skill/Ansys/run-fluent-autoclave into .claude/skills/run-fluent-autoclave/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-fluent-autoclave", 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/Cai-aa/CAE-Agent-Hub/tree/main/Skill/Ansys/run-fluent-autoclaveType 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 Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install Cai-aa/CAE-Agent-Hub run-fluent-autoclave --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/Cai-aa/CAE-Agent-Hub.git skills-src && mkdir -p .agents/skills && cp -r skills-src/Skill/Ansys/run-fluent-autoclave .agents/skills/run-fluent-autoclave && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "run-fluent-autoclave" agent skill from https://github.com/Cai-aa/CAE-Agent-Hub/tree/main/Skill/Ansys/run-fluent-autoclave into .agents/skills/run-fluent-autoclave/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-fluent-autoclave", 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 Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install Cai-aa/CAE-Agent-Hub run-fluent-autoclave --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/Cai-aa/CAE-Agent-Hub.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/Skill/Ansys/run-fluent-autoclave .cursor/skills/run-fluent-autoclave && 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 "run-fluent-autoclave" agent skill from https://github.com/Cai-aa/CAE-Agent-Hub/tree/main/Skill/Ansys/run-fluent-autoclave into .cursor/skills/run-fluent-autoclave/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-fluent-autoclave", 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/Cai-aa/CAE-Agent-Hub.git --path Skill/Ansys/run-fluent-autoclave--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 Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install Cai-aa/CAE-Agent-Hub run-fluent-autoclave --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/Cai-aa/CAE-Agent-Hub.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/Skill/Ansys/run-fluent-autoclave .gemini/skills/run-fluent-autoclave && 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 "run-fluent-autoclave" agent skill from https://github.com/Cai-aa/CAE-Agent-Hub/tree/main/Skill/Ansys/run-fluent-autoclave into .gemini/skills/run-fluent-autoclave/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-fluent-autoclave", 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 Cai-aa/CAE-Agent-Hub run-fluent-autoclaveInstalls 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 Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/Cai-aa/CAE-Agent-Hub.git skills-src && mkdir -p .github/skills && cp -r skills-src/Skill/Ansys/run-fluent-autoclave .github/skills/run-fluent-autoclave && 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 "run-fluent-autoclave" agent skill from https://github.com/Cai-aa/CAE-Agent-Hub/tree/main/Skill/Ansys/run-fluent-autoclave into .github/skills/run-fluent-autoclave/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-fluent-autoclave", 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 Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install Cai-aa/CAE-Agent-Hub run-fluent-autoclave --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/Cai-aa/CAE-Agent-Hub.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/Skill/Ansys/run-fluent-autoclave .opencode/skills/run-fluent-autoclave && 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 "run-fluent-autoclave" agent skill from https://github.com/Cai-aa/CAE-Agent-Hub/tree/main/Skill/Ansys/run-fluent-autoclave into .opencode/skills/run-fluent-autoclave/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-fluent-autoclave", 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
run-fluent-autoclave- GitHub stars
- 1k
- Token cost
- ~984 tokens
- SKILL.md length
- 447 words
- Files
- 8 (incl. scripts, references)
- Skills in repo
- 57
- Repo updated
- First seen
- Licence
- MIT
At a glance
Run, diagnose, reproduce, and validate ANSYS Fluent CFD simulations of forced-convection autoclaves using Fluent MCP or PyFluent.
- Works in 12 steps: Detect Fluent before launching it.… → Inspect the geometry and existing… → Read references/paper-case.md before… → …
- Hot-air vessel projects involving SCDOC/STEP geometry
- SKILL.md covers Workflow, Required physical setup, Reliability rules and Bundled scripts
- Runs Python scripts from its folder
What it does
Run Fluent Autoclave is an agent skill from Cai-aa/CAE-Agent-Hub. Run, diagnose, reproduce, and validate ANSYS Fluent CFD simulations of forced-convection autoclaves using Fluent MCP or PyFluent. Use for autoclave or hot-air vessel projects involving SCDOC/STEP geometry, annular velocity inlets, pressure outlets, Spalart-Allmaras turbulence, energy transport, calorimeter temperature boundaries, automatic meshing, longitudinal velocity contours, streamlines, mass-balance checks, or the Bohne paper boundary-condition case.
Its SKILL.md is about 980 tokens, which your agent loads only when the skill is triggered. The skill folder holds 10 other files, including scripts and reference files (for example `agents/openai.yaml`, `references/mcp-workflow.md` and `references/paper-case.md`).
It sits in Research & Science, covering Physical and earth sciences. It works with Model Context Protocol. The licence is MIT.
When your agent uses it
- Hot-air vessel projects involving SCDOC/STEP geometry
- Annular velocity inlets
- Pressure outlets
- Spalart-Allmaras turbulence
Example prompts
- “/run-fluent-autoclave”
Requirements
- Python 3
Workflow steps
12 steps, taken from the first numbered list in SKILL.md.
- Detect Fluent before launching it. Confirm fluent.exe, PyFluent, version, and job directory.
- Inspect the geometry and existing project files. Reuse a valid STEP/fluid domain instead of rebuilding geometry.
- Read references/paper-case.md before applying the Bohne-style boundary conditions.
- Read references/mcp-workflow.md before controlling Fluent MCP or handling a Chinese path.
- Copy the bundled scripts into the job directory and adjust only the geometry-dependent constants.
- Generate and check the mesh. Reject unmatched boundary faces, non-manifold faces, invalid volumes, or a misidentified full-face inlet.
- Configure Fluent in small validated chunks. Print each model, material, and boundary state after setting it.
- Run one time step first. Continue only if the mesh is valid and residuals remain finite.
- Run the remaining steps asynchronously when possible, monitor stdout/stderr, and save case/data before post-processing.
- Extract mass flow, inlet/outlet average and maximum speeds, global maximum speed and location, pressure drop, temperature range, and the…
- Generate the vertical longitudinal mid-plane velocity contour and streamlines with outlet left and inlet/head right.
- Run scripts/validate_results.py on the final JSON. Do not call the result complete if conservation or provenance checks fail.
What it can do on your machine
Read from SKILL.md and the folder at commit 194ef49. 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 4 files 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
Run Fluent Autoclave loads about 984 tokens when it runs, and up to ~1.9k if it reads all its reference files. Until then it costs about 120 tokens; SKILL.md has 447 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 Cai-aa/CAE-Agent-Hub at commit 194ef49, republished under its MIT licence (© Cai-aa). 447 words, ~984 tokens.
Download SKILL.mdSave it as
.claude/skills/run-fluent-autoclave/SKILL.md (or your agent's skills folder). This skill also uses 7 other files; get the full folder from GitHub.- name
- run-fluent-autoclave
- description
- Run, diagnose, reproduce, and validate ANSYS Fluent CFD simulations of forced-convection autoclaves using Fluent MCP or PyFluent. Use for autoclave or hot-air vessel projects involving SCDOC/STEP geometry, annular velocity inlets, pressure outlets, Spalart-Allmaras turbulence, energy transport, calorimeter temperature boundaries, automatic meshing, longitudinal velocity contours, streamlines, mass-balance checks, or the Bohne paper boundary-condition case.
Run Fluent Autoclave
Reproduce the validated open autoclave workflow while preserving geometry-specific judgment and numerical evidence.
Workflow
- Detect Fluent before launching it. Confirm
fluent.exe, PyFluent, version, and job directory. - Inspect the geometry and existing project files. Reuse a valid STEP/fluid domain instead of rebuilding geometry.
- Read references/paper-case.md before applying the Bohne-style boundary conditions.
- Read references/mcp-workflow.md before controlling Fluent MCP or handling a Chinese path.
- Copy the bundled scripts into the job directory and adjust only the geometry-dependent constants.
- Generate and check the mesh. Reject unmatched boundary faces, non-manifold faces, invalid volumes, or a misidentified full-face inlet.
- Configure Fluent in small validated chunks. Print each model, material, and boundary state after setting it.
- Run one time step first. Continue only if the mesh is valid and residuals remain finite.
- Run the remaining steps asynchronously when possible, monitor stdout/stderr, and save case/data before post-processing.
- Extract mass flow, inlet/outlet average and maximum speeds, global maximum speed and location, pressure drop, temperature range, and the final residuals.
- Generate the vertical longitudinal mid-plane velocity contour and streamlines with outlet left and inlet/head right.
- Run
scripts/validate_results.pyon the final JSON. Do not call the result complete if conservation or provenance checks fail.
Required physical setup
- Use the annular clearance at the ellipsoidal head as the velocity inlet; never use the whole end face without verifying the geometry.
- Use a pressure outlet at the opposite duct.
- Keep vessel walls adiabatic and no-slip.
- Split exposed calorimeter faces into a separate fixed-temperature wall zone.
- Use the material properties and boundary values in
references/paper-case.mdwhen reproducing that case. - Treat the reference image peak velocity as an outcome, not a prescribed outlet value.
Show full SKILL.md (163 more words)Show less
Reliability rules
- Preserve prior cases and results; write the new run under distinct names.
- Prefer named zones over raw zone IDs after the mesh is loaded.
- Verify the global maximum location. A maximum at the outlet is suspicious unless the geometry physically contracts there.
- Report local outlet reverse-flow area separately from net mass conservation.
- State geometry-scale differences before comparing peak speeds to a paper.
- Do not report wall heat-transfer coefficients as design values without a near-wall mesh and y-plus assessment.
- Keep the final Fluent MCP session loaded when the user is likely to continue interactively.
Bundled scripts
scripts/mesh_autoclave_paper_case.py: Boolean fluid-domain construction, boundary splitting, and refined tetrahedral mesh.scripts/prepare_fluent_paper_mesh.py: Deterministic Gmsh-to-Fluent ASCII mesh conversion with named zones.scripts/plot_fluent_paper_results.py: Main-view velocity, streamline, temperature, and pressure figures from extracted plane data.scripts/validate_results.py: Acceptance checks for the final result JSON.
The three simulation scripts are validated against the supplied autoclave topology. Inspect and adapt their STEP volume ordering, coordinate tests, and output paths for a different geometry.
© Cai-aa, MIT. 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 7 other files (scripts, references) in Skill/Ansys/run-fluent-autoclave of Cai-aa/CAE-Agent-Hub.
- SKILL.md
- agents/openai.yaml
- references/mcp-workflow.md
- references/paper-case.md
- scripts/mesh_autoclave_paper_case.py
- scripts/plot_fluent_paper_results.py
- scripts/prepare_fluent_paper_mesh.py
- scripts/validate_results.py
Open the folder on GitHubat commit 194ef49
Compare with similar skills
Run Fluent Autoclave 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 |
|---|---|---|---|---|---|---|
| Run Fluent Autoclave this skillCai-aa/CAE-Agent-Hub | 1k | — | ~984 | Automated safety check: Pass | MIT | |
| Chemgraphargonne-lcf/ChemGraph | 162 | — | ~743 | Automated safety check: Pass | Apache-2.0 | |
| TamarindK-Dense-AI/scientific-agent-skills | 48k | 1 repos | ~3.4k | Automated safety check: Pass | MIT | |
| Chem Solution Mdlearningmatter-mit/AtomisticSkills | 176 | — | ~1.9k | Automated safety check: Pass | MIT | |
| Mat DB Mplearningmatter-mit/AtomisticSkills | 176 | — | ~3k | Automated safety check: Pass | MIT | |
| Mat Defect Energy Dftlearningmatter-mit/AtomisticSkills | 176 | — | ~1.6k | Automated safety check: Pass | MIT |
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Questions about Run Fluent Autoclave
What does Run Fluent Autoclave do?
Run, diagnose, reproduce, and validate ANSYS Fluent CFD simulations of forced-convection autoclaves using Fluent MCP or PyFluent. Run Fluent Autoclave is an agent skill from Cai-aa/CAE-Agent-Hub. Run, diagnose, reproduce, and validate ANSYS Fluent CFD simulations of forced-convection autoclaves using Fluent MCP or PyFluent.
When should I use Run Fluent Autoclave?
Run Fluent Autoclave fits situations like: hot-air vessel projects involving SCDOC/STEP geometry; annular velocity inlets; pressure outlets; spalart-Allmaras turbulence.
How do I install Run Fluent Autoclave in Claude Code?
Run `npx skills add Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a claude-code`. Or copy the skill folder (Skill/Ansys/run-fluent-autoclave in Cai-aa/CAE-Agent-Hub) into .claude/skills/run-fluent-autoclave in your project. Claude Code loads it when a task matches its description.
How do I install Run Fluent Autoclave in Codex?
Run `npx skills add Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a codex`. Or copy the skill folder (Skill/Ansys/run-fluent-autoclave in Cai-aa/CAE-Agent-Hub) into .agents/skills/run-fluent-autoclave in your project. Codex loads it when a task matches its description.
Can I use Run Fluent Autoclave 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 Cai-aa/CAE-Agent-Hub --skill run-fluent-autoclave -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/run-fluent-autoclave, .gemini/skills/run-fluent-autoclave, .github/skills/run-fluent-autoclave and .opencode/skills/run-fluent-autoclave in your project.
What does Run Fluent Autoclave need to run?
Going by SKILL.md and its folder, Run Fluent Autoclave needs Python for the scripts in its folder. Our summary lists: Python 3.
Does Run Fluent Autoclave 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 Run Fluent Autoclave 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 Run Fluent Autoclave use?
Run Fluent Autoclave is published under the MIT licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.
How many tokens does Run Fluent Autoclave use?
About 984 tokens (SKILL.md is roughly 3.9k 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 891 tokens, read only when the agent opens those files.
What are the alternatives to Run Fluent Autoclave?
Skills that share tags, products or a category with Run Fluent Autoclave: Chemgraph (argonne-lcf/ChemGraph, 162 stars), Tamarind (K-Dense-AI/scientific-agent-skills, 48k stars), Chem Solution Md (learningmatter-mit/AtomisticSkills, 176 stars) and Mat DB Mp (learningmatter-mit/AtomisticSkills, 176 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Run Fluent Autoclave?
Cai-aa (a GitHub user) maintains it in Cai-aa/CAE-Agent-Hub, which has 1,015 GitHub stars. The repository holds 57 skills in this directory. The repository was last updated on September 30, 2026.
Source: Cai-aa/CAE-Agent-Hub on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.