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python API for rowan

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# Rowan Python Library

[![pypi](https://img.shields.io/pypi/v/rowan-python.svg)](https://pypi.python.org/pypi/rowan-python)
[![pixi](https://img.shields.io/badge/Powered_by-Pixi-facc15)](https://pixi.sh)
[![ruff](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/charliermarsh/ruff/main/assets/badge/v1.json)](https://github.com/charliermarsh/ruff)
[![Downloads](https://img.shields.io/pypi/dm/rowan-python.svg)](https://pypi.python.org/pypi/rowan-python/)

The Rowan Python library provides convenient access to the Rowan API from applications written in the Python language.

## Documentation

The documentation is available [here](https://docs.rowansci.com/python-api).

## Agent skill

Ships with a [computational chemistry and biology skill](skills/computational-chemistry-and-biology/)
that helps coding agents choose and run Rowan workflows through either Rowan MCP tools or the
Rowan Python SDK.

### Claude Code

```bash
claude plugin marketplace add https://github.com/rowansci/rowan-python.git
claude plugin install computational-chemistry-and-biology@rowan
```

### Codex

```bash
codex plugin marketplace add rowansci/rowan-python --ref master
codex plugin add computational-chemistry-and-biology@rowan
```

Start a new Claude Code or Codex session after installation. For manual installation, download the
[latest skill ZIP](https://github.com/rowansci/rowan-python/releases/download/skill-latest/computational-chemistry-and-biology-skill.zip)
and extract it into your agent's skills directory.

## Running examples

To run the examples, you will need to set your ROWAN_API_KEY environment variable or set it directly in the script.
If running the examples in a cloned version of the repository, you can add your api key to a local `.env` file, which will automatically be loaded into the environment by direnv (if installed).

## Issues

To report issues, please use the "Issues" tab above.

*Corin Wagen, 2023*

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