rowan

rowan is a skill for Claude Code, Codex from magic3007/dotfiles. It costs 100 tokens per session (9,632 once invoked), scanned A, a copy of rowan, MIT.

A cloud service with a Python interface for molecular modelling and medicinal chemistry, including molecule-property prediction, docking, molecular dynamics, and protein–ligand structure workflows.

In plain words
What is it for?
Use it for drug-design experiments such as pKa and permeability prediction, conformer generation, docking, cofolding, molecular dynamics, and batch chemistry pipelines.
Why use it?
It provides a single programmable workflow and managed computing infrastructure instead of requiring local high-performance computers, GPUs, and multiple specialist tools.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it for drug-design experiments such as pKa and permeability prediction, conformer generation, docking, cofolding, molecular dynamics, and batch chemistry pipelines.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/magic3007/dotfiles/rowan
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add magic3007/dotfiles --skill rowan
Clone the repo
git clone --depth 1 https://github.com/magic3007/dotfiles

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for rowan

README.md
[![agentmods](https://agentmods.dev/badge/skills/magic3007/dotfiles/rowan.svg)](https://agentmods.dev/skills/magic3007/dotfiles/rowan)
Your own site
<a href="https://agentmods.dev/skills/magic3007/dotfiles/rowan"><img src="https://agentmods.dev/badge/skills/magic3007/dotfiles/rowan.svg" alt="Measured on agentmods" height="20"></a>
Per session 100 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 9,632 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin 97% copy Near-identical to another mod in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00100 $0.09632
Opus 5 $0.00050 $0.04816
Sonnet 5 $0.00020 $0.01926
Haiku 4.5 $0.00010 $0.00963

Measured 3d ago against content hash 7c17b2b64037, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-07, from the pricing page.

Security

Grade A, and why

rowan scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 3d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

Origin

This is a copy

97% identical to rowan — 6 lines differ, which has more behind it and is treated as the original. This page carries a canonical link to it rather than competing with it.

claude/skills/scientific-agent-skills/skills/rowan/SKILL.md · 1,089 lines

How it starts

The opening of the file, as written. The whole thing — 1,089 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Rowan: Cloud-Native Molecular-Modeling and Drug-Design Workflows

Overview

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.

Use Rowan when you want to run medicinal-chemistry or molecular-design workflows programmatically without maintaining local HPC infrastructure, GPU provisioning, or a collection of separate modeling tools. Rowan handles all infrastructure, result management, and computation scaling.

When to use Rowan

Rowan is a good fit for:

  • Quantum chemistry, semiempirical methods, or neural network potentials
  • Batch property prediction (pKa, descriptors, permeability, solubility)
  • Conformer and tautomer ensemble generation
  • Docking workflows (single-ligand, analogue series, pose refinement)
  • Protein-ligand cofolding and MSA generation
  • Multi-step chemistry pipelines (e.g., tautomer search → docking → pose analysis)
  • Batch medicinal-chemistry campaigns where you need consistent, scalable infrastructure

Rowan is not the right fit for:

  • Simple molecular I/O (use RDKit directly)
  • Post-HF ab initio quantum chemistry or relativistic calculations

Access and pricing model

Rowan uses a credit-based usage model. All users, including free-tier users, can create API keys and use the Python API.

Free-tier access

  • Access to all Rowan core workflows
  • 20 credits per week
  • 500 signup credits

Pricing and credit consumption

Credits are consumed according to compute type:

  • CPU: 1 credit per minute
  • GPU: 3 credits per minute
  • H100/H200 GPU: 7 credits per minute

Purchased credits are priced per credit and remain valid for up to one year from purchase.

Typical cost estimates

Workflow Typical Runtime Estimated Credits Notes
Descriptors <1 min 0.5–2 Lightweight, good for triage
pKa (single transition) 2–5 min 2–5 Depends on molecule size
MacropKa (pH 0–14) 5–15 min 5–15 Broader sampling, higher cost
Conformer search 3–10 min 3–10 Ensemble quality matters
Tautomer search 2–5 min 2–5 Heterocyclic systems
Docking (single ligand) 5–20 min 5–20 Depends on pocket size, refinement
Analogue docking series (10–50 ligands) 30–120 min 30–100+ Shared reference frame
MSA generation 5–30 min 5–30 Sequence length dependent
Protein-ligand cofolding 15–60 min 20–50+ AI structure prediction, GPU-heavy

Read the full file on GitHub · 1,089 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 3d ago First seen · 1,089 lines · 100 tokens per session scan A 7c17b2b64037

Subscribe to this mod's changes

rowan is a skill published in the GitHub repository magic3007/dotfiles (11 stars, last pushed yesterday), licensed MIT. It adds 100 tokens to every session and 9,632 once invoked, about $0.0005 per session on Opus 5. A static security scan graded it A with 0 findings. It is 97% identical to rowan, differing in 6 lines, and is treated as a copy.

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