Run LOBSTER to project a plane-wave (VASP) wavefunction onto a local orbital basis and compute COHP/COOP/ICOHP bonding analysis, Mulliken/Loewdin populations, and projected DOS.

Custom licenceAuto-check passed

Install Lobster

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

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

GitHub CLI
$ gh skill install JCLiuGroup/AI-Computational-Chemist lobster --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/lobster .claude/skills/lobster && 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
lobster
GitHub stars
146
Used in
1 other repo
Token cost
~661 tokens
SKILL.md length
270 words
Files
5 (incl. references)
Skills in repo
21
Repo updated
First seen
Licence
Custom licence

At a glance

Run LOBSTER to project a plane-wave (VASP) wavefunction onto a local orbital basis and compute COHP/COOP/ICOHP bonding analysis, Mulliken/Loewdin populations, and projected DOS.

  • Works in 5 steps: Run a VASP static with the LOBSTER… → Write lobsterin (basis matched to the… → Run lobster on a compute node (OpenMP). → …
  • Set up the VASP static that feeds LOBSTER
  • SKILL.md covers Required inputs, Where to find what, Workflow and Hard guardrails
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Lobster is an agent skill from JCLiuGroup/AI-Computational-Chemist. Run LOBSTER to project a plane-wave (VASP) wavefunction onto a local orbital basis and compute COHP/COOP/ICOHP bonding analysis, Mulliken/Loewdin populations, and projected DOS. Use to set up the VASP static that feeds LOBSTER, write lobsterin, run lobster, and check projection (spilling) quality. For the interpretation of the bonding numbers, see knowledge/bonding-analysis.md.

Its SKILL.md is about 660 tokens, which your agent loads only when the skill is triggered. The skill folder holds 5 other files, including reference files (for example `references/errors.md`, `references/resources.md` and `references/running.md`).

When your agent uses it

  • Set up the VASP static that feeds LOBSTER
  • Write lobsterin
  • Check projection (spilling) quality

Example prompts

  • “/lobster”

Workflow steps

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

  1. Run a VASP static with the LOBSTER settings (references/running.md); preserve WAVECAR/POSCAR/INCAR.
  2. Write lobsterin (basis matched to the PAW potential; pairs or generator).
  3. Run lobster on a compute node (OpenMP).
  4. Check lobsterout charge spilling before trusting anything (references/validation.md).
  5. Read the bonding result using knowledge/bonding-analysis.md.

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

    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

Lobster loads about 661 tokens when it runs, and up to ~2.9k if it reads all its reference files. Until then it costs about 98 tokens; SKILL.md has 270 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~98
When it runs · the whole SKILL.md, loaded when a task matches
~661
With references · SKILL.md plus every file in references/, read only if the agent opens them
~2.9k

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 270 words (~661 tokens).

“LOBSTER reads a VASP wavefunction and projects it onto a local orbital basis to produce COHP/COOP/ICOHP and population analysis. It is a separate program from VASP (no recompile needed). This skill covers operating it; the science of reading COHP/ICOHP is…”

— opening of SKILL.md by JCLiuGroup, Custom licence
name
lobster

Read the full SKILL.md on GitHub

Files

SKILL.md and 4 other files (references) in tools/lobster of JCLiuGroup/AI-Computational-Chemist.

  • SKILL.md
  • references/errors.md
  • references/resources.md
  • references/running.md
  • references/validation.md

Open the folder on GitHubat commit e27b555

Used in 1 other repository

We found 2 copies 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

Lobster 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.

Lobster compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Lobster this skillJCLiuGroup/AI-Computational-Chemist1461 repos~661Automated safety check: PassCustom licence
Planejeremylongshore/tons-of-skills-marketplace2.8k—~1.9kAutomated safety check: PassMIT
Elliott Wave Signal EngineHKUDS/Vibe-Trading35k—~482Automated safety check: PassMIT
Nasiko Control Planeaffaan-m/ECC276k1 repos~660Automated safety check: PassMIT
Offensive Z WaveSnailSploit/Claude-Red7.4k—~1.3kAutomated safety check: PassMIT
Rebase Onto MainPX4/PX4-Autopilot13k—~1.1kAutomated safety check: NotesBSD-3-Clause

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Questions about Lobster

What does Lobster do?

Run LOBSTER to project a plane-wave (VASP) wavefunction onto a local orbital basis and compute COHP/COOP/ICOHP bonding analysis, Mulliken/Loewdin populations, and projected DOS. Lobster is an agent skill from JCLiuGroup/AI-Computational-Chemist. Run LOBSTER to project a plane-wave (VASP) wavefunction onto a local orbital basis and compute COHP/COOP/ICOHP bonding analysis, Mulliken/Loewdin populations, and projected DOS.

When should I use Lobster?

Lobster fits situations like: set up the VASP static that feeds LOBSTER; write lobsterin; check projection (spilling) quality.

How do I install Lobster in Claude Code?

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

How do I install Lobster in Codex?

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

Can I use Lobster 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 lobster -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/lobster, .gemini/skills/lobster, .github/skills/lobster and .opencode/skills/lobster in your project.

What does Lobster need to run?

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

Does Lobster 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 Lobster 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 Lobster use?

Lobster 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 Lobster use?

About 661 tokens (SKILL.md is roughly 2.6k 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 2.2k tokens, read only when the agent opens those files.

What are the alternatives to Lobster?

Skills that share tags, products or a category with Lobster: Plane (jeremylongshore/tons-of-skills-marketplace, 2.8k stars), Elliott Wave Signal Engine (HKUDS/Vibe-Trading, 35k stars), Nasiko Control Plane (affaan-m/ECC, 276k stars) and Offensive Z Wave (SnailSploit/Claude-Red, 7.4k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Lobster?

JCLiuGroup (a GitHub organization) maintains it in JCLiuGroup/AI-Computational-Chemist, which has 146 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.