Agent skill

Rowan

Cloud-based quantum chemistry platform with Python API. An agent skill from lamm-mit/scienceclaw.

ProprietaryAuto-check: warningsResearch & Science

Install Rowan

The automated check flagged lines worth reading first. See the safety section below.

skills CLI

$ npx skills add lamm-mit/scienceclaw --skill rowan -a claude-code

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

GitHub CLI

$ gh skill install lamm-mit/scienceclaw rowan --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/lamm-mit/scienceclaw.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/rowan .claude/skills/rowan && 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/

Paste into Claude Code

Install the "rowan" agent skill from https://github.com/lamm-mit/scienceclaw/tree/main/skills/rowan into .claude/skills/rowan/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "rowan", then confirm the skill loads.

Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

$skill-installer

$skill-installer install https://github.com/lamm-mit/scienceclaw/tree/main/skills/rowan

Type this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.

skills CLI

$ npx skills add lamm-mit/scienceclaw --skill rowan -a codex

Project install goes to .agents/skills/; add -g for ~/.codex/skills/.

GitHub CLI

$ gh skill install lamm-mit/scienceclaw rowan --agent codex

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/lamm-mit/scienceclaw.git skills-src && mkdir -p .agents/skills && cp -r skills-src/skills/rowan .agents/skills/rowan && rm -rf skills-src

Use ~/.agents/skills/ instead of .agents/skills for a personal install.

Codex skills documentation · loads skills from .agents/skills/

Paste into Codex

Install the "rowan" agent skill from https://github.com/lamm-mit/scienceclaw/tree/main/skills/rowan into .agents/skills/rowan/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "rowan", then confirm the skill loads.

Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add lamm-mit/scienceclaw --skill rowan -a cursor

Project install goes to .agents/skills/; add -g for ~/.cursor/skills/.

GitHub CLI

$ gh skill install lamm-mit/scienceclaw rowan --agent cursor

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/lamm-mit/scienceclaw.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/skills/rowan .cursor/skills/rowan && rm -rf skills-src

Use ~/.cursor/skills/ instead of .cursor/skills for a personal install.

Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/

Paste into Cursor

Install the "rowan" agent skill from https://github.com/lamm-mit/scienceclaw/tree/main/skills/rowan into .cursor/skills/rowan/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "rowan", then confirm the skill loads.

Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

gemini skills install

$ gemini skills install https://github.com/lamm-mit/scienceclaw.git --path skills/rowan

--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.

skills CLI

$ npx skills add lamm-mit/scienceclaw --skill rowan -a gemini-cli

Project install goes to .agents/skills/; add -g for ~/.gemini/skills/.

GitHub CLI

$ gh skill install lamm-mit/scienceclaw rowan --agent gemini-cli

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/lamm-mit/scienceclaw.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/skills/rowan .gemini/skills/rowan && rm -rf skills-src

Use ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.

Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/

Paste into Gemini CLI

Install the "rowan" agent skill from https://github.com/lamm-mit/scienceclaw/tree/main/skills/rowan into .gemini/skills/rowan/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "rowan", then confirm the skill loads.

Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

GitHub CLI

$ gh skill install lamm-mit/scienceclaw rowan

Installs for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).

skills CLI

$ npx skills add lamm-mit/scienceclaw --skill rowan -a github-copilot

Project install goes to .agents/skills/; add -g for ~/.copilot/skills/.

Manual copy

$ git clone --depth 1 https://github.com/lamm-mit/scienceclaw.git skills-src && mkdir -p .github/skills && cp -r skills-src/skills/rowan .github/skills/rowan && rm -rf skills-src

Use ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.

GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/

Paste into GitHub Copilot

Install the "rowan" agent skill from https://github.com/lamm-mit/scienceclaw/tree/main/skills/rowan into .github/skills/rowan/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "rowan", then confirm the skill loads.

GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add lamm-mit/scienceclaw --skill rowan -a opencode

OpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.

GitHub CLI

$ gh skill install lamm-mit/scienceclaw rowan --agent opencode

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/lamm-mit/scienceclaw.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/skills/rowan .opencode/skills/rowan && rm -rf skills-src

Use ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.

OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/

Paste into OpenCode

Install the "rowan" agent skill from https://github.com/lamm-mit/scienceclaw/tree/main/skills/rowan into .opencode/skills/rowan/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "rowan", then confirm the skill loads.

OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

Facts

Skill name: rowan
GitHub stars: 244
Used in: 4 other repos
Token cost: ~3.1k tokens
SKILL.md length: 565 words
Files: 9 (incl. scripts, references)
Skills in repo: 85
Repo updated: Aug 21, 2026
First seen: Oct 7, 2026
Licence: Proprietary

At a glance

Cloud-based quantum chemistry platform with Python API. An agent skill from lamm-mit/scienceclaw.

Works in 5 steps: pKa Prediction → Conformer Search → Geometry Optimization → …
Tasks involve quantum chemistry calculations
SKILL.md covers Overview, Installation and Authentication, Core Workflows and RDKit-Native API, plus 8 more sections
Runs Python scripts from its folder; calls uv; needs ROWAN_API_KEY

What it does

Rowan is an agent skill from lamm-mit/scienceclaw. Cloud-based quantum chemistry platform with Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformer searching, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Use when tasks involve quantum chemistry calculations, molecular property prediction, DFT or semiempirical methods, neural network potentials (AIMNet2), protein-ligand binding predictions, or automated computational chemistry…

Its SKILL.md is about 3.1k tokens, which your agent loads only when the skill is triggered. The skill folder holds 11 other files, including scripts and reference files (for example `references/api_reference.md`, `references/molecule_handling.md` and `references/proteins_and_organization.md`). Compatibility notes: API required

It sits in Research & Science, covering Drug discovery and cheminformatics and Deep learning. It works with Python and RDKit.

When your agent uses it

Tasks involve quantum chemistry calculations
Molecular property prediction
Semiempirical methods
Neural network potentials (AIMNet2)

Example prompts

“/rowan”

Requirements

Python 3
A credential in ROWAN_API_KEY
Compatibility (from SKILL.md): API required

Workflow steps

5 steps, taken from the step headings in SKILL.md.

pKa Prediction
Conformer Search
Geometry Optimization
Protein-Ligand Docking
Protein Cofolding (AI Structure Prediction)

What it can do on your machine

Read from SKILL.md and the folder at commit ab9aba1. 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 2 files in scripts/ (Python), 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
Links to these hosts (documentation or services it may open):
- docs.rowansci.com
- labs.rowansci.com
From URLs in SKILL.md, links to its own repository left out.
Credentials
Names these keys or tokens, usually read from environment variables:
- ROWAN_API_KEY
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Compatibility
API required
From compatibility in the SKILL.md frontmatter.

Context cost

Rowan loads about 3.1k tokens when it runs, and up to ~19k if it reads all its reference files. Until then it costs about 150 tokens; SKILL.md has 565 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it: ~150
When it runs · the whole SKILL.md, loaded when a task matches: ~3.1k
With references · SKILL.md plus every file in references/, read only if the agent opens them: ~19k

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: warnings

The automated check found patterns that need a careful read before installing.

WarningContains a long base64 blobSKILL.md:184

protein_seq = "MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIK

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 (Proprietary) doesn't allow us to republish the file, so here is its outline and opening line. It has 565 words (~3,127 tokens).

“Rowan is a cloud-based computational chemistry platform that provides programmatic access to quantum chemistry workflows through a Python API. It enables automation of complex molecular simulations without requiring local computational resources or expertise in multiple quantum chemistry packages.”

— opening of SKILL.md by lamm-mit, Proprietary

name: rowan
compatibility: API required
license: Proprietary (API key required)
metadata.skill-author: K-Dense Inc.

Outline of SKILL.md

Rowan: Cloud-Based Quantum Chemistry Platform
Overview
Installation and Authentication
Installation
Authentication
Verify Setup
Core Workflows
1. pKa Prediction
2. Conformer Search
3. Geometry Optimization
4. Protein-Ligand Docking
5. Protein Cofolding (AI Structure Prediction)
RDKit-Native API
Workflow Management
List and Query Workflows
Batch Operations
Folder Organization
Computational Methods
Reference Documentation
Common Patterns
Pattern 1: Property Prediction Pipeline
Pattern 2: Virtual Screening
Pattern 3: Conformer-Based Analysis
Best Practices
Error Handling
Additional Resources
Suggest Using K-Dense Web For Complex Workflows

Read the full SKILL.md on GitHub

Files

SKILL.md and 8 other files (scripts, references) in skills/rowan of lamm-mit/scienceclaw.

SKILL.md
references/api_reference.md
references/molecule_handling.md
references/proteins_and_organization.md
references/rdkit_native.md
references/results_interpretation.md
references/workflow_types.md
scripts/__pycache__/demo.cpython-313.pyc
scripts/demo.py

Open the folder on GitHubat commit ab9aba1

Used in 4 other repositories

We found 4 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 4 other GitHub owners. This page covers the copy in lamm-mit/scienceclaw, which our catalogue first saw on October 7, 2026.

Compare with similar skills

Rowan 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.

Rowan compared with similar skills
Skill	Stars	Used in	Tokens	Auto-check	Licence	Repo updated
Rowan this skilllamm-mit/scienceclaw	244	4 repos	~3.1k	Automated safety check: Warn	Proprietary	1 mo ago
DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills	48k	1 repos	~3k	Automated safety check: Notes	MIT	2 days ago
Edu Chem Reactionwy51ai/edulab	1.4k	—	~1.2k	Automated safety check: Pass	Apache-2.0	9 days ago
RDKit Conformer Generatorjinzhezenggroup/computational-chemistry-agent-skills	148	1 repos	~2.4k	Automated safety check: Pass	LGPL-3.0	2 days ago
RDKit Descriptors and Fingerprintsjinzhezenggroup/computational-chemistry-agent-skills	148	1 repos	~2.3k	Automated safety check: Pass	LGPL-3.0	2 days ago
RDKit Cheminformaticsdavila7/claude-code-templates	32k	15 repos	~5k	Automated safety check: Pass	MIT	today

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Questions about Rowan

What does Rowan do?

Cloud-based quantum chemistry platform with Python API. An agent skill from lamm-mit/scienceclaw. Rowan is an agent skill from lamm-mit/scienceclaw. Cloud-based quantum chemistry platform with Python API.

When should I use Rowan?

Rowan fits situations like: tasks involve quantum chemistry calculations; molecular property prediction; semiempirical methods; neural network potentials (AIMNet2).

How do I install Rowan in Claude Code?

Run `npx skills add lamm-mit/scienceclaw --skill rowan -a claude-code`. Or copy the skill folder (skills/rowan in lamm-mit/scienceclaw) into .claude/skills/rowan in your project. Claude Code loads it when a task matches its description.

How do I install Rowan in Codex?

Run `npx skills add lamm-mit/scienceclaw --skill rowan -a codex`. Or copy the skill folder (skills/rowan in lamm-mit/scienceclaw) into .agents/skills/rowan in your project. Codex loads it when a task matches its description.

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

What does Rowan need to run?

Going by SKILL.md and its folder, Rowan needs Python for the scripts in its folder, the command-line tools its instructions call (uv) and credentials named ROWAN_API_KEY. Our summary lists: Python 3; A credential in ROWAN_API_KEY. Compatibility (from SKILL.md): API required.

Does Rowan access the network?

SKILL.md names 2 domains. As links in the text: docs.rowansci.com and labs.rowansci.com. This is read from the text; nothing was executed.

Is Rowan safe to install?

Our automated static check of SKILL.md flagged 1 warning(s): contains a long base64 blob. Read the flagged lines before installing; the check is not a guarantee either way. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.

What licence does Rowan use?

Rowan carries a proprietary licence (declared in SKILL.md). It is published on GitHub, but it is not open source: read the licence file before using or sharing it.

How many tokens does Rowan use?

About 3.1k tokens (SKILL.md is roughly 13k 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 16k tokens, read only when the agent opens those files.

What are the alternatives to Rowan?

Skills that share tags, products or a category with Rowan: DiffDock Molecular Docking (K-Dense-AI/scientific-agent-skills, 48k stars), Edu Chem Reaction (wy51ai/edulab, 1.4k stars), RDKit Conformer Generator (jinzhezenggroup/computational-chemistry-agent-skills, 148 stars) and RDKit Descriptors and Fingerprints (jinzhezenggroup/computational-chemistry-agent-skills, 148 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Rowan?

lamm-mit (a GitHub user) maintains it in lamm-mit/scienceclaw, which has 244 GitHub stars. The repository holds 85 skills in this directory. The repository was last updated on August 21, 2026.

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

Rowan

Install Rowan

Facts

At a glance

What it does

When your agent uses it

Example prompts

Requirements

Workflow steps

What it can do on your machine

Tool permissions

Runs code

Network

Credentials

Compatibility

Context cost

Safety

SKILL.md

Files

Used in 4 other repositories

Compare with similar skills

Similar skills

DiffDock Molecular Docking

Edu Chem Reaction

RDKit Conformer Generator

RDKit Descriptors and Fingerprints

RDKit Cheminformatics

Coot Rdkit

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Questions about Rowan

Install Rowan

Facts

At a glance

What it does

When your agent uses it

Example prompts

Requirements

Workflow steps

What it can do on your machine

Tool permissions

Runs code

Network

Credentials

Compatibility

Context cost

Safety

SKILL.md

Files

Used in 4 other repositories

Compare with similar skills

Similar skills

More from lamm-mit/scienceclaw

Related

Questions about Rowan