New: 98,000+ skills indexed from GitHub repos with 100+ stars · every skill safety-checkedBrowse top skillsTop skills
Esc to closeBrowse all skills
Submit a skillBrowse skills
Submit a skillBrowse skills

Agent skill

Rowan

by K-Dense-AI in K-Dense-AI/scientific-agent-skills

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API.

ProprietaryAuto-check passedResearch & Science

Install Rowan

skills CLI
$ npx skills add K-Dense-AI/scientific-agent-skills --skill rowan -a claude-code

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

GitHub CLI
$ gh skill install K-Dense-AI/scientific-agent-skills 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/K-Dense-AI/scientific-agent-skills.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/

Facts

Skill name
rowan
GitHub stars
48k
Used in
2 other repos
Token cost
~4.3k tokens
SKILL.md length
1,365 words
Files
6 (incl. references)
Skills in repo
153
Repo updated
First seen
Licence
Proprietary

At a glance

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API.

  • Works in 3 steps: Submit a workflow → Wait for completion (with optional… → Retrieve typed results with convenience…
  • PKa and macropKa prediction
  • SKILL.md covers Overview, When to use Rowan, Quick start and Installation, plus 13 more sections
  • Calls uv; needs ROWAN_API_KEY

What it does

Rowan is an agent skill from K-Dense-AI/scientific-agent-skills. Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.

Its SKILL.md is about 4.3k tokens, which your agent loads only when the skill is triggered. The skill folder holds 6 other files, including reference files (for example `references/access_and_pricing.md`, `references/batch_and_webhooks.md` and `references/end_to_end_example.md`). Compatibility notes: Python 3.12+ with rowan-python and its RDKit/stjames dependencies. Requires network access and ROWANAPIKEY for hosted workflows.

It sits in Research & Science, covering Drug discovery and cheminformatics and Physical and earth sciences. It works with Python. The repository describes itself as: Turn any AI agent into an AI Scientist. The 1 Agent Skills library for science, used by 250,000+ scientists worldwide. 177 ready-to-use validated skills plus 100+ scientific…

When your agent uses it

  • PKa and macropKa prediction
  • Conformer and tautomer ensembles
  • Docking and analogue docking
  • Protein-ligand cofolding

Example prompts

  • “/rowan”

Requirements

  • Python 3
  • A credential in ROWAN_API_KEY
  • Compatibility (from SKILL.md): Python 3.12+ with rowan-python and its RDKit/stjames dependencies. Requires network access and ROWAN_API_KEY for hosted workflows.

Workflow steps

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

  1. Submit a workflow
  2. Wait for completion (with optional streaming)
  3. Retrieve typed results with convenience properties

What it can do on your machine

Read from SKILL.md and the folder at commit 92ace75. 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

    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):

    • pypi.org
    • docs.rowansci.com
    • rcsb.org

    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

    Python 3.12+ with rowan-python and its RDKit/stjames dependencies. Requires network access and ROWAN_API_KEY for hosted workflows.

    From compatibility in the SKILL.md frontmatter.

Context cost

Rowan loads about 4.3k tokens when it runs, and up to ~13k if it reads all its reference files. Until then it costs about 130 tokens; SKILL.md has 1,365 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~130
When it runs · the whole SKILL.md, loaded when a task matches
~4.3k
With references · SKILL.md plus every file in references/, read only if the agent opens them
~13k

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 (Proprietary) doesn't allow us to republish the file, so here is its outline and opening line. It has 1,365 words (~4,326 tokens).

“Rowan is a cloud-native workflow platform for molecular simulation, medicinal chemistry, and structure-based design. Its Python API exposes a unified interface for small-molecule modeling, property prediction, docking, molecular dynamics, and AI structure workflows.”

— opening of SKILL.md by K-Dense-AI, Proprietary
name
rowan
compatibility
Python 3.12+ with rowan-python and its RDKit/stjames dependencies. Requires network access and ROWAN_API_KEY for hosted workflows.
license
Proprietary (API key required)
metadata.version
1.7
metadata.last-reviewed
2026-09-30
metadata.upstream-version
rowan-python 3.2.0
metadata.skill-author
Rowan Science
metadata.trigger-keywords
pKa prediction, molecular docking, conformer search, chemistry workflow, drug discovery, SMILES, protein structure, batch molecular modeling, cloud chemistry

Read the full SKILL.md on GitHub

Files

SKILL.md and 5 other files (references) in skills/rowan of K-Dense-AI/scientific-agent-skills.

  • SKILL.md
  • references/access_and_pricing.md
  • references/batch_and_webhooks.md
  • references/end_to_end_example.md
  • references/troubleshooting.md
  • references/workflow_catalog.md

Open the folder on GitHubat commit 92ace75

Used in 2 other repositories

We found 2 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 2 other GitHub owners. This page covers the copy in K-Dense-AI/scientific-agent-skills, 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
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Rowan this skillK-Dense-AI/scientific-agent-skills48k2 repos~4.3kAutomated safety check: PassProprietary
AstropyzLanqing/codex-claude-academic-skills4.7k13 repos~2.9kAutomated safety check: PassBSD-3-Clause
Edu Chem Reactionwy51ai/edulab1.4k—~1.2kAutomated safety check: PassApache-2.0
Climate DsHongjian01/ClimWorkflow102—~1.2kAutomated safety check: PassCustom licence
Rowanlamm-mit/scienceclaw2444 repos~3.1kAutomated safety check: WarnProprietary
Coot Rdkitpemsley/coot168—~981Automated safety check: PassGPL-3.0

Similar skills

  • Astropy

    zLanqing/codex-claude-academic-skills

    Comprehensive Python library for astronomy and astrophysics.

    4.7k GitHub starsUsed in 13 repos~2.9k tokens
    Research & ScienceAuto-check passed

  • Edu Chem Reaction

    wy51ai/edulab

    把一个化学反应做成自包含的微观 3D 交互演示网页：左/上为 Three.js 可交互分子动画 （拖滑块看断键·成键·原子重组，分步高亮），右为 KaTeX 反应方程 + 分步讲解 + 原子守恒计数 + 可选能量-反应进程曲线。支持三入口——给定文字反应/方程、随机出题、上传图片识别后演示。

    1.4k GitHub stars~1.2k tokensUpdated 11 days ago
    Research & ScienceAuto-check passed

  • Climate Ds

    Hongjian01/ClimWorkflow

    ClimWorkflow climate-data workflow: map a natural-language climate goal to Plan-Agent / Data-Agent / Coding-Agent roles, then call the 7-tool DAG (optional read-only validate after report).

    102 GitHub stars~1.2k tokensUpdated 21 days ago
    Research & ScienceAuto-check passed

  • Rowan

    lamm-mit/scienceclaw

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

    244 GitHub starsUsed in 4 repos~3.1k tokens
    Research & ScienceAuto-check: warnings

  • Coot Rdkit

    pemsley/coot

    RDKit molecular manipulation and visualization within Coot's Python environment.

    168 GitHub stars~981 tokensUpdated yesterday
    Research & ScienceAuto-check passed

  • RDKit Cheminformatics

    davila7/claude-code-templates

    Guides molecular work with RDKit in Python: reading SMILES and SDF, sanitization, descriptors, fingerprints, substructure and similarity search, reactions and coordinates.

    32k GitHub starsUsed in 14 repos~5k tokens
    Research & ScienceAuto-check passed

More from K-Dense-AI/scientific-agent-skills

All 153 skills in this repo

  • 13C Metabolic Flux Analysis

    K-Dense-AI/scientific-agent-skills

    Estimates reaction fluxes inside cells from steady-state carbon-13 labeling data with a bundled mfapy-based solver, and reports which fluxes the data pin down.

    48k GitHub starsUsed in 1 repo~3.2k tokens
    Auto-check passed

  • Analytical Method Validation Planner

    K-Dense-AI/scientific-agent-skills

    Plans, runs, and documents analytical method validation, verification, or transfer studies under ICH Q2(R2)/Q14, USP, ICH M10, CLSI EP, or ISO/IEC 17025.

    48k GitHub starsUsed in 1 repo~4.9k tokens
    Auto-check: notes

  • Cantera Ignition Delay

    K-Dense-AI/scientific-agent-skills

    Runs Cantera constant-volume or constant-pressure ignition simulations and reports temperature-based ignition delay with mechanism provenance and checks.

    48k GitHub starsUsed in 1 repo~2.2k tokens
    Auto-check passed

  • DiffDock Molecular Docking

    K-Dense-AI/scientific-agent-skills

    Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity.

    48k GitHub starsUsed in 1 repo~3k tokens
    Auto-check: notes

  • HypoGeniC Hypothesis Generation

    K-Dense-AI/scientific-agent-skills

    Plans and audits runs of the HypoGeniC and HypoRefine packages, which propose hypotheses from labeled text datasets, with local checks before any model call.

    48k GitHub starsUsed in 1 repo~3.6k tokens
    Auto-check: notes

  • ISO Standards Readiness Evidence

    K-Dense-AI/scientific-agent-skills

    Organizes scope, controlled documents, risk files and traceability into draft evidence for human review against ISO 13485, 14971, 17025 and 15189.

    48k GitHub starsUsed in 1 repo~4.6k tokens
    Auto-check: notes

Works with

Categories

Questions about Rowan

What does Rowan do?

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Rowan is an agent skill from K-Dense-AI/scientific-agent-skills. Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API.

When should I use Rowan?

Rowan fits situations like: PKa and macropKa prediction; conformer and tautomer ensembles; docking and analogue docking; protein-ligand cofolding.

How do I install Rowan in Claude Code?

Run `npx skills add K-Dense-AI/scientific-agent-skills --skill rowan -a claude-code`. Or copy the skill folder (skills/rowan in K-Dense-AI/scientific-agent-skills) 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 K-Dense-AI/scientific-agent-skills --skill rowan -a codex`. Or copy the skill folder (skills/rowan in K-Dense-AI/scientific-agent-skills) 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 K-Dense-AI/scientific-agent-skills --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 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): Python 3.12+ with rowan-python and its RDKit/stjames dependencies. Requires network access and ROWAN_API_KEY for hosted workflows..

Does Rowan access the network?

SKILL.md names 3 domains. As links in the text: pypi.org, docs.rowansci.com and rcsb.org. This is read from the text; nothing was executed.

Is Rowan 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 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 4.3k tokens (SKILL.md is roughly 17k 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 8.8k 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: Astropy (zLanqing/codex-claude-academic-skills, 4.7k stars), Edu Chem Reaction (wy51ai/edulab, 1.4k stars), Climate Ds (Hongjian01/ClimWorkflow, 102 stars) and Rowan (lamm-mit/scienceclaw, 244 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Rowan?

K-Dense-AI (a GitHub organization) maintains it in K-Dense-AI/scientific-agent-skills, which has 48,095 GitHub stars. The repository holds 153 skills in this directory. The repository was last updated on October 5, 2026.

Source: K-Dense-AI/scientific-agent-skills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.