Rowan Python Library
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.
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.
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
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
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:
# 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 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.
1 maintainer
Metadata
1 maintainer
Release files for rowan-python 3.2.4
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| rowan_python-3.2.4.tar.gz | 602.4 kB | Without provenance | Details for rowan_python-3.2.4.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| rowan_python-3.2.4-py3-none-any.whl | Python 3 | none | any | Details for rowan_python-3.2.4-py3-none-any.whl |
Total release size: 754.5 kB
Release files / rowan_python-3.2.4.tar.gz
| Download URL | rowan_python-3.2.4.tar.gz |
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| Size | 602.4 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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Release files / rowan_python-3.2.4-py3-none-any.whl
| Download URL | rowan_python-3.2.4-py3-none-any.whl |
|---|---|
| Size | 152.1 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
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Security for rowan-python 3.2.4
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