Submit, monitor, and recover computational chemistry jobs locally, over approved SSH targets, or through Slurm/PBS schedulers.

Custom licenceAuto-check passedBusiness, Finance & HR

Install Hpc Submit

skills CLI
$ npx skills add JCLiuGroup/AI-Computational-Chemist --skill hpc-submit -a claude-code

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

GitHub CLI
$ gh skill install JCLiuGroup/AI-Computational-Chemist hpc-submit --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/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .claude/skills && cp -r skills-src/tools/hpc-submit .claude/skills/hpc-submit && 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
hpc-submit
GitHub stars
143
Used in
1 other repo
Token cost
~878 tokens
SKILL.md length
388 words
Files
8 (incl. scripts, references)
Skills in repo
21
Repo updated
First seen
Licence
Custom licence

At a glance

Submit, monitor, and recover computational chemistry jobs locally, over approved SSH targets, or through Slurm/PBS schedulers.

  • Works in 4 steps: Determine whether execution is local or… → Confirm the engine preflight and… → Obtain approval for an expensive batch,… → …
  • Resume decisions
  • SKILL.md covers Required inputs, Route map, Workflow and Hard guardrails
  • Runs Shell scripts from its folder

What it does

Hpc Submit is an agent skill from JCLiuGroup/AI-Computational-Chemist. Submit, monitor, and recover computational chemistry jobs locally, over approved SSH targets, or through Slurm/PBS schedulers. Use for job scripts, dry runs, queue checks, job arrays, log monitoring, resume decisions, and durable execution of long-running calculations.

Its SKILL.md is about 880 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 `examples/README.md`, `references/cluster-guide-template.md` and `references/errors.md`).

It sits in Business, Finance & HR.

When your agent uses it

  • Resume decisions
  • Durable execution of long-running calculations

Example prompts

  • “/hpc-submit”

Requirements

  • A Bash shell

Workflow steps

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

  1. Determine whether execution is local or remote. Follow the discovery and private
  2. Confirm the engine preflight and accepted release gates. Claim the task when
  3. Obtain approval for an expensive batch, submit through one owner, and immediately
  4. Monitor through scheduler accounting. After a terminal state, run the engine parser;

What it can do on your machine

Read from SKILL.md and the folder at commit e27b555. 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/ (Shell), 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

Hpc Submit loads about 878 tokens when it runs, and up to ~7.1k if it reads all its reference files. Until then it costs about 70 tokens; SKILL.md has 388 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~70
When it runs · the whole SKILL.md, loaded when a task matches
~878
With references · SKILL.md plus every file in references/, read only if the agent opens them
~7.1k

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

Its licence (Custom licence) doesn't allow us to republish the file, so here is its outline and opening line. It has 388 words (~878 tokens).

“Use this scheduler gate only after the producing engine's scientific preflight passes.”

— opening of SKILL.md by JCLiuGroup, Custom licence
name
hpc-submit

Read the full SKILL.md on GitHub

Files

SKILL.md and 7 other files (scripts, references) in tools/hpc-submit of JCLiuGroup/AI-Computational-Chemist.

  • SKILL.md
  • examples/README.md
  • references/cluster-guide-template.md
  • references/errors.md
  • references/resources.md
  • references/running.md
  • references/validation.md
  • scripts/wait_for_job.sh

Open the folder on GitHubat commit e27b555

Used in 1 other repository

We found 1 copy of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in JCLiuGroup/AI-Computational-Chemist, which our catalogue first saw on October 7, 2026.

Compare with similar skills

Hpc Submit 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.

Hpc Submit compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Hpc Submit this skillJCLiuGroup/AI-Computational-Chemist1431 repos~878Automated safety check: PassCustom licence
Technical Analysttradermonty/claude-trading-skills3k5 repos~4.6kAutomated safety check: PassMIT
Creating Financial ModelsChen-zexi/open-ptc-agent7304 repos~1.3kAutomated safety check: PassMIT
Theme Detectortradermonty/claude-trading-skills3k2 repos~4.9kAutomated safety check: PassMIT
Stock APIzhangxiangliang/stock-api2k—~507Automated safety check: PassMIT
Itr Walakaranb192/itr-wala871—~3.6kAutomated safety check: PassMIT

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Questions about Hpc Submit

What does Hpc Submit do?

Submit, monitor, and recover computational chemistry jobs locally, over approved SSH targets, or through Slurm/PBS schedulers. Hpc Submit is an agent skill from JCLiuGroup/AI-Computational-Chemist. Submit, monitor, and recover computational chemistry jobs locally, over approved SSH targets, or through Slurm/PBS schedulers.

When should I use Hpc Submit?

Hpc Submit fits situations like: resume decisions; durable execution of long-running calculations.

How do I install Hpc Submit in Claude Code?

Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill hpc-submit -a claude-code`. Or copy the skill folder (tools/hpc-submit in JCLiuGroup/AI-Computational-Chemist) into .claude/skills/hpc-submit in your project. Claude Code loads it when a task matches its description.

How do I install Hpc Submit in Codex?

Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill hpc-submit -a codex`. Or copy the skill folder (tools/hpc-submit in JCLiuGroup/AI-Computational-Chemist) into .agents/skills/hpc-submit in your project. Codex loads it when a task matches its description.

Can I use Hpc Submit 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 JCLiuGroup/AI-Computational-Chemist --skill hpc-submit -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/hpc-submit, .gemini/skills/hpc-submit, .github/skills/hpc-submit and .opencode/skills/hpc-submit in your project.

What does Hpc Submit need to run?

Going by SKILL.md and its folder, Hpc Submit needs a shell for the scripts in its folder. Our summary lists: A Bash shell.

Does Hpc Submit 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 Hpc Submit 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 Hpc Submit use?

Hpc Submit 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 Hpc Submit use?

About 878 tokens (SKILL.md is roughly 3.5k 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 6.2k tokens, read only when the agent opens those files.

What are the alternatives to Hpc Submit?

Skills that share tags, products or a category with Hpc Submit: Technical Analyst (tradermonty/claude-trading-skills, 3k stars), Creating Financial Models (Chen-zexi/open-ptc-agent, 730 stars), Theme Detector (tradermonty/claude-trading-skills, 3k stars) and Stock API (zhangxiangliang/stock-api, 2k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Hpc Submit?

JCLiuGroup (a GitHub organization) maintains it in JCLiuGroup/AI-Computational-Chemist, which has 143 GitHub stars. The repository holds 21 skills in this directory. The repository was last updated on September 27, 2026.

Source: JCLiuGroup/AI-Computational-Chemist on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.