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CF automd-gromacs

AutoMD-GROMACS: AI-friendly molecular dynamics automation for GROMACS with workflow, enhanced sampling, special-system simulation, advanced analysis, and publication-ready visualization. Built-in troubleshooting and token-optimized execution. Part of the AutoMD series.

ClawHub Agent Skills author: Bill v5.3.3 MIT-0 80 files · 24 scripts body ≈ 1 027 tokens Open the sourceclawhub.ai↗ analyzed 3 d ago

As a process F 45/100 · Will not run — References files that are not bundled: references/templates/

ProcedureSoftware developmenttype and topics are labelled automatically from the skill text
Runs in: OpenClaw Claude / Claude Code ChatGPT / Codex Gemini CLI Cursor GitHub Copilot / VS Code Qwen Code Kimi Code CLI Z.ai (GLM) DeepSeek (Deep Code) Mistral Vibe LangChain (deepagents) Goose OpenCode
JSON
Technical rating
C
73/100
safety, quality, tests
Safety 60%
78
Quality 40%
66
Run on models
none yet
Process rating
F
45/100
Will not run
References files that are not bundled: references/templates/
Tools and files w 18
0
Result and completion w 14
0
Inputs and preconditions w 11
0
the three weakest of ten parameters · all ten

What is at stake

Medium-severity findings: the skill is probably honest, but read what alarmed the scanner.

Dangerous commands medium severity

Below is the worst case for this category. The finding here is medium: the guard saw a sign, not a proof.

If you install

The skill contains commands that delete files, rewrite disks or execute code fetched from the network. The agent may run them without asking if it believes the instructions require it.

For the author

Replace destructive commands with safe equivalents that ask for confirmation, scope them to one folder, and stop piping curl into a shell: pin a version and a checksum.

How to improve

  1. Say in the description WHEN to use the skill ("use when…", example requests): that is the agent's main cue.
  2. The text references files that are not there: add them or drop the references.
For the model run — optional
  • Your own cases (evals/evals.json, 4–6 real requests with expected answers): the full check would then run those instead of a model-drafted suite.
  • A spec.yaml with trigger phrases and assertions — a behaviour contract for CI; `skilltest init` writes a template.

Guard findings · 6

✓ No critical or high findings

Medium and low: 6
  • medium Dangerous commands cmd-shell-rc references/gpu/gpu-installation.md:134
    Writes to a shell startup file
    echo 'source /opt/grom…gpu/env.sh' >> ~/.bashrc
  • medium Dangerous commands cmd-privilege references/tools/INSTALLATION.md:60
    Privilege escalation / world-writable permissions
    sudo cp acpype.py /usr/local/bin/acpype
  • medium Dangerous commands cmd-privilege references/tools/INSTALLATION.md:228
    Privilege escalation / world-writable permissions
    sudo mv insane.py /usr/local/bin/insane
  • medium Dangerous commands cmd-privilege references/troubleshoot/membrane-errors.md:156
    Privilege escalation / world-writable permissions
    # sudo mv insane.py /usr/local/bin/insane
  • low Dangerous commands cmd-privilege CHANGELOG.md:13
    Privilege escalation / world-writable permissions (quoted — discussed, not commanded)
    - **membrane-errors.md warnings** — `sudo mv insane.py` replaced with user-path `~/.local/bin/` install; HTTPS download
    quoted
  • low Dangerous commands cmd-privilege references/troubleshoot/membrane-errors.md:147
    Privilege escalation / world-writable permissions (quoted — discussed, not commanded)
    > ⚠️ **安全提示**: `sudo mv` 会在系统路径安装从互联网下载的脚本。生产环境建议使用 conda/pip 或安装到 `~/.local/bin/`。
    quoted

Files scanned: 80. Evidence is masked. Grey chips explain why severity was lowered.

Against the Agent Skills spec

  • warning description-no-when description does not say WHEN to use the skill (no "use when")
  • warning missing-ref reference to a missing file: references/templates/

Process rating: all ten parameters 45/100

Will not run. References files that are not bundled: references/templates/
  • 0Tools and files. 1 referenced file(s) missing: references/templates/
  • 0Result and completion. Does not say what the result is
  • 0Inputs and preconditions. Does not say what the process needs to start
  • 20When it triggers. No condition that starts the skill
  • 30Running it twice. 5 mutating operations with no state check
  • 100Steps. 47 steps
  • 100Failures and branches. 1 branches, has a failure section
  • 100Consistency. Name and required fields are in place
  • 100Execution cost. Instruction body is 1027 tokens
  • 100Progress reporting. Reports progress

Everything here is measured from the skill text rather than judged by a model, so the numbers are checkable. A parameter weighs more when it is a more common reason for the process to stall.

Quality signals

  • +5Description has no quoted example phrases that should trigger the skill
  • +4Description does not say when NOT to use the skill (false activations)
  • +3Output format is not stated: the model decides each time
  • +1No license
  • +2Single-language instructions
  • +3Description length 269: enough signal without eating the budget
  • +4Structure: 7 headings
  • +3Step-by-step instructions: 47 items
  • +4Has examples (1 code blocks)

Quality base 70; lint remarks subtract, signals add up to 100. Result: 66.

External checks

ClawHub: clean
This appears to be a legitimate GROMACS automation skill, but it can run heavy simulations and includes optional install/download guidance that users should control carefully.
LLM: benign (medium) · VirusTotal: · 1 Jun 2026