Metadata-Version: 2.5
Name: rowan-python
Version: 3.2.0
Summary: Rowan Python Library
Project-URL: Homepage, https://github.com/rowansci/rowan-client
Project-URL: Bug Tracker, https://github.com/rowansci/rowan-client/issues
Author-email: Corin Wagen <corin@rowansci.com>, Eli Mann <eli@rowansci.com>
License-Expression: MIT
License-File: LICENSE
Requires-Python: >=3.12
Requires-Dist: httpx
Requires-Dist: nest-asyncio
Requires-Dist: rdkit
Requires-Dist: setuptools
Requires-Dist: stjames>=0.0.261
Description-Content-Type: text/markdown

# Rowan Python Library

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The Rowan Python library is the Python SDK for running Rowan computational chemistry workflows
programmatically. Use it from scripts and applications to submit calculations, monitor workflow
progress, retrieve results, and manage molecules, proteins, folders, and projects through the
Rowan API.

## Documentation

Read the [Rowan Python API documentation](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.

When using Rowan MCP tools, always read and follow this skill and its workflow references first.
The skill provides the scientific guidance and execution requirements for MCP workflows.

### 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
```

### Rowan MCP server (optional)

The skill also works with the hosted Rowan MCP server, which provides Rowan tools directly to the
agent. Add it once per client:

```bash
# Claude Code
claude mcp add --transport http rowan https://mcp.rowansci.com/

# Codex
codex mcp add rowan --url https://mcp.rowansci.com/
codex mcp login rowan
```

Both clients prompt for OAuth sign-in on first use. Without the server, the skill falls back to the
Rowan Python SDK, which authenticates with `ROWAN_API_KEY` instead.

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.
