Rowan Python Library

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

Documentation

The documentation is available here.

Agent skill

Ships with a computational chemistry and biology skill that helps coding agents choose and run Rowan workflows through either Rowan MCP tools or the Rowan Python SDK.

Claude Code

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

Codex

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 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