Agent skill

Research Orchestrator

by JCLiuGroup in JCLiuGroup/AI-Computational-Chemist

Define and maintain machine-readable research project state for multi-stage computational chemistry work.

Custom licenceAuto-check passedDevelopment

Install Research Orchestrator

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

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

GitHub CLI
$ gh skill install JCLiuGroup/AI-Computational-Chemist research-orchestrator --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/procedures/research-orchestrator .claude/skills/research-orchestrator && 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
research-orchestrator
GitHub stars
145
Used in
1 other repo
Token cost
~1.8k tokens
SKILL.md length
712 words
Files
233 (incl. scripts, references)
Skills in repo
21
Repo updated
First seen
Licence
Custom licence

At a glance

Define and maintain machine-readable research project state for multi-stage computational chemistry work.

  • Works in 7 steps: Initialize the project with objective,… → Create task nodes with dependencies,… → Register source and generated artifacts;… → …
  • A project needs task DAGs
  • SKILL.md covers Control plane, Workflow, Where to find the contract and Script map, plus 1 more section
  • Calls uv

What it does

Research Orchestrator is an agent skill from JCLiuGroup/AI-Computational-Chemist. Define and maintain machine-readable research project state for multi-stage computational chemistry work. Use when a project needs task DAGs, artifact registries, decision logs, ready/blocked task checks, or structured handoff between cognitive roles and deterministic tool skills.

Its SKILL.md is about 1.8k tokens, which your agent loads only when the skill is triggered. The skill folder holds 240 other files, including scripts and reference files (for example `examples/README.md`, `examples/blocked-project/.research/project.yaml` and `examples/blocked-project/.research/tasks/T001.yaml`).

It sits in Development, covering Architecture decision records.

When your agent uses it

  • A project needs task DAGs
  • Artifact registries
  • Ready/blocked task checks
  • Structured handoff between cognitive roles and deterministic tool skills

Example prompts

  • “/research-orchestrator”

Workflow steps

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

  1. Initialize the project with objective, success criteria, mode, and approval policy.
  2. Create task nodes with dependencies, role/permission contract, routed skill,
  3. Register source and generated artifacts; append decisions and events instead of
  4. Validate state and derive ready/blocked tasks.
  5. Before expensive execution, satisfy the applicable plan/structure/pre-submit gates,
  6. Register parser evidence, run result criticism, and either accept a claim, record a
  7. Release final reporting only after its claims and report gate are ready.

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/, which the agent can run.

    Shell commands in SKILL.md call:

    • uv

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    No URLs in SKILL.md. Its commands use uv, which can reach the network depending on how they are called.

    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

Research Orchestrator loads about 1.8k tokens when it runs, and up to ~26k if it reads all its reference files. Until then it costs about 76 tokens; SKILL.md has 712 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~76
When it runs · the whole SKILL.md, loaded when a task matches
~1.8k
With references · SKILL.md plus every file in references/, read only if the agent opens them
~26k

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 712 words (~1,773 tokens).

“This procedure owns durable project state, handoffs, readiness, permissions, gates, and execution ownership. It does not own the scientific lifecycle (comp-chem-workflow), reviewer-response semantics (review-response), or any engine, structure, HPC, visualization, or report operation. A task's skill remains authoritative for doing…”

— opening of SKILL.md by JCLiuGroup, Custom licence
name
research-orchestrator

Read the full SKILL.md on GitHub

Files

SKILL.md and 232 other files (scripts, references) in procedures/research-orchestrator of JCLiuGroup/AI-Computational-Chemist.

  • SKILL.md
  • examples/README.md
  • examples/blocked-project/.research/artifacts.jsonl
  • examples/blocked-project/.research/decisions.jsonl
  • examples/blocked-project/.research/events.jsonl
  • examples/blocked-project/.research/project.yaml
  • examples/blocked-project/.research/tasks/T001.yaml
  • examples/blocked-project/.research/tasks/T002.yaml
  • examples/blocked-project/.research/tasks/T003.yaml
  • examples/blocked-project/inputs/source.md
  • examples/blocked-project/work/parser-result.json
  • examples/blocked-project/work/plan.md
  • examples/broken-cycle/.research/artifacts.jsonl
  • … and 220 more

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

Research Orchestrator 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.

Research Orchestrator compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Research Orchestrator this skillJCLiuGroup/AI-Computational-Chemist1451 repos~1.8kAutomated safety check: PassCustom licence
PR Design DocOpenHands/OpenHands90k—~2.4kAutomated safety check: PassMIT
Cto AdvisorIbrahim-3d/orchestrator-supaconductor3804 repos~2.4kAutomated safety check: PassMIT
Improve Codebase Architectureywwynm/EverythingDone14415 repos~1.3kAutomated safety check: PassGPL-3.0
Domain Modelingbrim-borium/spotify_sdk1665 repos~806Automated safety check: PassApache-2.0
Design Doc MermaidSpillwaveSolutions/design-doc-mermaid1751 repos~5.6kAutomated safety check: PassNone

Similar skills

  • PR Design Doc

    OpenHands/OpenHands

    For a non-trivial pull request, write a self-contained HTML design doc under the temporary .pr/ directory and link a visibility-appropriate preview in the PR description, so maintainers grasp the…

    90k GitHub stars~2.4k tokensUpdated today
    DevelopmentAuto-check passed
  • Cto Advisor

    Ibrahim-3d/orchestrator-supaconductor

    Technical leadership guidance for engineering teams, architecture decisions, and technology strategy.

    380 GitHub starsUsed in 4 repos~2.4k tokens
    DevelopmentAuto-check passed
  • Improve Codebase Architecture

    ywwynm/EverythingDone

    Find deepening opportunities in a codebase, informed by the domain language in CONTEXT.md and the decisions in docs/adr/.

    144 GitHub starsUsed in 15 repos~1.3k tokens
    DevelopmentAuto-check passed
  • Domain Modeling

    brim-borium/spotify_sdk

    Build and sharpen a project's domain model. An agent skill from brim-borium/spotify_sdk.

    166 GitHub starsUsed in 5 repos~806 tokens
    DevelopmentAuto-check passed
  • Design Doc Mermaid

    SpillwaveSolutions/design-doc-mermaid

    Create Mermaid diagrams (flowchart, sequence, class, ER, state, C4, architecture) from text or source code.

    175 GitHub starsUsed in 1 repo~5.6k tokens
    DevelopmentAuto-check passed
  • Learning Opportunities

    DrCatHicks/learning-opportunities

    Facilitates deliberate skill development during AI-assisted coding.

    2.5k GitHub stars~2.5k tokensUpdated 1 mo ago
    DevelopmentAuto-check passed

More from JCLiuGroup/AI-Computational-Chemist

All 21 skills in this repo
  • Comp Chem Workflow

    JCLiuGroup/AI-Computational-Chemist

    Entry point and controller for computational chemistry and materials workflows.

    145 GitHub starsUsed in 1 repo~1.4k tokens
    Auto-check passed
  • Cp2k

    JCLiuGroup/AI-Computational-Chemist

    Prepare, validate, run, and troubleshoot CP2K calculations for periodic and large molecular systems.

    145 GitHub starsUsed in 1 repo~1.7k tokens
    Auto-check passed
  • Deepmd

    JCLiuGroup/AI-Computational-Chemist

    DeePMD-kit and Deep Potential Molecular Dynamics workflows. An agent skill from JCLiuGroup/AI-Computational-Chemist.

    145 GitHub starsUsed in 1 repo~780 tokens
    Auto-check passed
  • Gaussian

    JCLiuGroup/AI-Computational-Chemist

    Prepare, validate, and troubleshoot Gaussian molecular quantum chemistry jobs.

    145 GitHub starsUsed in 1 repo~1k tokens
    Auto-check passed
  • Gromacs

    JCLiuGroup/AI-Computational-Chemist

    Prepare, validate, run, resume, troubleshoot, and analyze GROMACS molecular dynamics.

    145 GitHub starsUsed in 1 repo~1.7k tokens
    Auto-check passed
  • Hpc Submit

    JCLiuGroup/AI-Computational-Chemist

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

    145 GitHub starsUsed in 1 repo~878 tokens
    Auto-check passed

Categories

Questions about Research Orchestrator

What does Research Orchestrator do?

Define and maintain machine-readable research project state for multi-stage computational chemistry work. Research Orchestrator is an agent skill from JCLiuGroup/AI-Computational-Chemist. Define and maintain machine-readable research project state for multi-stage computational chemistry work.

When should I use Research Orchestrator?

Research Orchestrator fits situations like: A project needs task DAGs; artifact registries; ready/blocked task checks; structured handoff between cognitive roles and deterministic tool skills.

How do I install Research Orchestrator in Claude Code?

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

How do I install Research Orchestrator in Codex?

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

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

What does Research Orchestrator need to run?

Going by SKILL.md and its folder, Research Orchestrator needs the command-line tools its instructions call (uv).

Does Research Orchestrator access the network?

SKILL.md contains no URLs. Its commands use uv, which can reach the network depending on how they are called. This is read from the text; nothing was executed.

Is Research Orchestrator 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 Research Orchestrator use?

Research Orchestrator 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 Research Orchestrator use?

About 1.8k tokens (SKILL.md is roughly 7.1k 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 24k tokens, read only when the agent opens those files.

What are the alternatives to Research Orchestrator?

Skills that share tags, products or a category with Research Orchestrator: PR Design Doc (OpenHands/OpenHands, 90k stars), Cto Advisor (Ibrahim-3d/orchestrator-supaconductor, 380 stars), Improve Codebase Architecture (ywwynm/EverythingDone, 144 stars) and Domain Modeling (brim-borium/spotify_sdk, 166 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Research Orchestrator?

JCLiuGroup (a GitHub organization) maintains it in JCLiuGroup/AI-Computational-Chemist, which has 145 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.