Agent skill

Mattersim Relaxation Screening

by Tai609 in Tai609/NebulaMat

Run governed MatterSim-v1.0.0-5M energy, force, stress, and optional ASE FIRE relaxation for workspace-local standardized structures.

Custom licenceAuto-check passed

Install Mattersim Relaxation Screening

skills CLI
$ npx skills add Tai609/NebulaMat --skill mattersim-relaxation-screening -a claude-code

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

GitHub CLI
$ gh skill install Tai609/NebulaMat mattersim-relaxation-screening --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/Tai609/NebulaMat.git skills-src && mkdir -p .claude/skills && cp -r skills-src/runtime/skills-bundle/mattersim-relaxation-screening .claude/skills/mattersim-relaxation-screening && 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
mattersim-relaxation-screening
GitHub stars
100
Token cost
~1.6k tokens
SKILL.md length
725 words
Files
3 (incl. references)
Skills in repo
15
Repo updated
First seen
Licence
Custom licence

At a glance

Run governed MatterSim-v1.0.0-5M energy, force, stress, and optional ASE FIRE relaxation for workspace-local standardized structures.

  • Works in 7 steps: Select the structure and kind. Use one… → Gate the input provenance. Read the… → Choose cell behavior deliberately. Keep… → …
  • A user asks to relax a crystal
  • SKILL.md covers Workflow, Parameter Rules, Tool Contract and Failure Handling
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Mattersim Relaxation Screening is an agent skill from Tai609/NebulaMat. Run governed MatterSim-v1.0.0-5M energy, force, stress, and optional ASE FIRE relaxation for workspace-local standardized structures. Use whenever a user asks to relax a crystal, calculate MatterSim energy/forces/stress, screen MatterGen candidates, or evaluate a structure before MatterSim/UMA/VASP.

Its SKILL.md is about 1.6k tokens, which your agent loads only when the skill is triggered. The skill folder holds 4 other files, including reference files (for example `agents/openai.yaml` and `references/parameter-policy.md`).

The repository describes itself as: NebulaMat scientific materials research workbench.

When your agent uses it

  • A user asks to relax a crystal
  • Calculate MatterSim energy/forces/stress
  • Screen MatterGen candidates
  • Evaluate a structure before MatterSim/UMA/VASP

Example prompts

  • “/mattersim-relaxation-screening”

Workflow steps

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

  1. Select the structure and kind. Use one of the adapter kinds: bulk, slab, interface, or molecule. Decide whether the user wants a…
  2. Gate the input provenance. Read the source run manifest when available (the MatterGen run manifest for MatterGen candidates) and the…
  3. Choose cell behavior deliberately. Keep relax_cell=false by default for comparable energies and for every slab. Set relax_cell=true only…
  4. Check the environment. Prefer the governed MCP tool run_mattersim_stability_screen. If using the CLI, use the project entry point…
  5. Run a bounded request. Create a new output directory inside the active workspace and call the tool with the chosen kind, device…
  6. Audit the result. Require status=completed and inspect the recorded model id, package version, checkpoint SHA-256, input SHA-256, formula…
  7. Route conservatively. promote_to_next_stage means only that the relaxation converged and the geometry-change limit passed. A converged…

What it can do on your machine

Read from SKILL.md and the folder at commit c906ed5. 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.

    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

Mattersim Relaxation Screening loads about 1.6k tokens when it runs, and up to ~2.6k if it reads all its reference files. Until then it costs about 83 tokens; SKILL.md has 725 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~83
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
~2.6k

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

Its licence (Custom licence) doesn't allow us to republish the file, so here is its outline and opening line. It has 725 words (~1,596 tokens).

“Treat MatterSim as a first-stage machine-learning force-field proxy. It provides geometry, energy, force, and stress evidence; it does not prove formation stability, energy above hull, aqueous stability, surface stability, synthesizability, or experimental performance.”

— opening of SKILL.md by Tai609, Custom licence
name
mattersim-relaxation-screening

Read the full SKILL.md on GitHub

Files

SKILL.md and 2 other files (references) in runtime/skills-bundle/mattersim-relaxation-screening of Tai609/NebulaMat.

  • SKILL.md
  • agents/openai.yaml
  • references/parameter-policy.md

Open the folder on GitHubat commit c906ed5

Compare with similar skills

Mattersim Relaxation Screening 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.

Mattersim Relaxation Screening compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Mattersim Relaxation Screening this skillTai609/NebulaMat100—~1.6kAutomated safety check: PassCustom licence
Docs Governanceaffaan-m/ECC277k—~1.1kAutomated safety check: PassMIT
Bio Crispr Screens Screen QcFreedomIntelligence/OpenClaw-Medical-Skills3.1k—~2.1kAutomated safety check: PassNone
Energy Procurementaffaan-m/ECC277k4 repos~7.4kAutomated safety check: PassApache-2.0
Energy Procurementaffaan-m/ECC277k2 repos~2.5kAutomated safety check: PassApache-2.0
Board Governancesickn33/agentic-awesome-skills47k1 repos~4.1kAutomated safety check: PassMIT

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Questions about Mattersim Relaxation Screening

What does Mattersim Relaxation Screening do?

Run governed MatterSim-v1.0.0-5M energy, force, stress, and optional ASE FIRE relaxation for workspace-local standardized structures. Mattersim Relaxation Screening is an agent skill from Tai609/NebulaMat.0-5M energy, force, stress, and optional ASE FIRE relaxation for workspace-local standardized structures.

When should I use Mattersim Relaxation Screening?

Mattersim Relaxation Screening fits situations like: A user asks to relax a crystal; calculate MatterSim energy/forces/stress; screen MatterGen candidates; evaluate a structure before MatterSim/UMA/VASP.

How do I install Mattersim Relaxation Screening in Claude Code?

Run `npx skills add Tai609/NebulaMat --skill mattersim-relaxation-screening -a claude-code`. Or copy the skill folder (runtime/skills-bundle/mattersim-relaxation-screening in Tai609/NebulaMat) into .claude/skills/mattersim-relaxation-screening in your project. Claude Code loads it when a task matches its description.

How do I install Mattersim Relaxation Screening in Codex?

Run `npx skills add Tai609/NebulaMat --skill mattersim-relaxation-screening -a codex`. Or copy the skill folder (runtime/skills-bundle/mattersim-relaxation-screening in Tai609/NebulaMat) into .agents/skills/mattersim-relaxation-screening in your project. Codex loads it when a task matches its description.

Can I use Mattersim Relaxation Screening 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 Tai609/NebulaMat --skill mattersim-relaxation-screening -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/mattersim-relaxation-screening, .gemini/skills/mattersim-relaxation-screening, .github/skills/mattersim-relaxation-screening and .opencode/skills/mattersim-relaxation-screening in your project.

What does Mattersim Relaxation Screening need to run?

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

Does Mattersim Relaxation Screening 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 Mattersim Relaxation Screening 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 Mattersim Relaxation Screening use?

Mattersim Relaxation Screening has a licence file (the repository's licence) that doesn't match a standard licence. Read it on GitHub before reusing the skill.

How many tokens does Mattersim Relaxation Screening use?

About 1.6k tokens (SKILL.md is roughly 6.4k 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 981 tokens, read only when the agent opens those files.

What are the alternatives to Mattersim Relaxation Screening?

Skills that share tags, products or a category with Mattersim Relaxation Screening: Docs Governance (affaan-m/ECC, 277k stars), Bio Crispr Screens Screen Qc (FreedomIntelligence/OpenClaw-Medical-Skills, 3.1k stars), Energy Procurement (affaan-m/ECC, 277k stars) and Energy Procurement (affaan-m/ECC, 277k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Mattersim Relaxation Screening?

Tai609 (a GitHub user) maintains it in Tai609/NebulaMat, which has 100 GitHub stars. The repository holds 15 skills in this directory. The repository was last updated on September 6, 2026.

Source: Tai609/NebulaMat on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.