marimo_materials

Interactive AnyWidgets for computational materials science notebook environments.

This project is a domain-specific widget library for materials scientists working in notebook environments (Jupyter, Marimo, VSCode, Colab, etc.). It provides interactive UI components tailored to common workflows in computational materials science — visualising crystal structures, monitoring DFT convergence, and more.

Acknowledgements

This project is based on wigglystuff by @koaning, used and adapted here under the MIT License. The scaffold, build system, and anywidget integration patterns are all drawn from that project. Go star it.

Installation

uv pip install marimo_materials
# or
pip install marimo_materials

Widgets

🚧 This library is in early development. Widgets will be added here as they are built.

Development

Install all dependencies (Python + JS tooling):

make install
npm install

Run the JS bundler in watch mode while developing:

npm run dev

Run tests:

make test

Preview the docs locally:

make docs-serve

How It Works

Each widget is a Python class with traitlets that sync bidirectionally with a JavaScript frontend via anywidget. The Python traits are the public API; the JS is purely the renderer. This means widgets work anywhere anywidget is supported — Jupyter, Marimo, Shiny for Python, Solara, VS Code, and Google Colab.

License

MIT — see LICENSE.

Original wigglystuff code copyright © koaning, MIT License.