RT @Robert_Palgrave: Don't know who needs to hear this, but materials discovery was never about randomly mixing things in a lab and happeni….

RT @FallettaStefano: Pymatviz is becoming my favorite atomistic visualization tool, very easy to use and great color palettes. Really good….

Thanks to @Andrew_S_Rosen and his group as well as @ganganabhijeet and @FallettaStefano for early user feedback that guided development. Of course, more feature suggestions always welcome at and (if regarding the Python widgets).

`pymatviz.widgets.StructureWidget` or a list of them to (along with properties like energy, forces, stress) to `pymatviz.widgets.TrajectoryWidget`. To learn more, checkout the live docs at and the example notebooks at

To try it out, you can install the VSCode extension ( and start pointing it at structure and MD trajectory files. Or run `pip install pymatviz` and pass any Python Structure objects (ASE Atoms, pymatgen Structure, PhonopyAtoms) to.

There should be a single tool that makes it easy to visualize your simulations throughout the research process. Thanks to the power and ubiquity of modern browser APIs, I think MatterViz has a real shot at doing that.

- to sharing your data with your team or the world via easily deployable marimo notebooks using `pymatviz` (this could also be great for teaching!).- all the way through to journal publication via image export.

The goal is for MatterViz to be available at all stages of research.- from quickly visualizing local data on disk or observing remote data as its being generated on a cluster. .

VSCode's FileWatch API. Meaning you could in principle launch 8 concurrent MD runs with torch-sim on a single GPU and watch each system in real time as it evolves in a separate editor tab. Works in both VSCode and Cursor.

No more downloading of remote files and hunting them down in Finder/Explorer just to visualize them with a local-only structure/MD viewer. Click on any supported file in VSCode and MatterViz will auto-render it. The best part is live re-rendering of changes to the data using . .

It renders both local and remote files directly in editor tabs, be they structure CIF/XYZ/JSON/POSCAR/. format or trajectories in ASE's ULM traj format, pymatgen JSON or torch-sim's HDF5 format.

These components work anywhere the modern computational chemistry workflow might take you: From Python notebooks (Jupyter, marimo, VSCode Interactive via pip install pymatviz) to the browser ( as well as directly on files in VSCode via MatterViz extension.

After much tinkering, I think it has finally reached a stage where it's useful for others. It's a set of UI components to visualize crystal structures, molecular dynamics trajectories, chemical compositions, periodic table heatmaps and more.

Two updates to share, one personal and one about open source which I'm very excited about!.Personal: My days in NYC are over. 4 weeks ago, Radical AI and I parted ways. Since then, I've gone into full hermit mode working on MatterViz (.

also worth pointing out that typst has HTML export now. you're limited in terms of interactivity but if you only need figures and text that you can upload to a static site as easily as you can send it to a (progressive) journal, typst is unbeatable!.

RT @XirtamEsrevni: I'm coming to the realization that my research papers should be written first as web apps . meaning rather than write….

advanced capabilities in materials science for researchers worldwide. MP's vision to become the "Google of computational materials science" has changed how we share materials data and the tools we use daily. Here's to many more years of advancing materials science together! 🚀.

As @MolecularXtal and @Andrew_S_Rosen said, Materials Project is more than a database and a nice website. The thing I love most about it is how fully it has embraced open and collaborative science and how it's ecosystem of open source packages have democratized access to the most.

Materials Project has been transformative, both to the field and myself. I feel fortunate to have been part of such a welcoming community and to have had the chance to contribute to a project of this scope and vision.

Congrats to Kristin Persson @KPatBerkeley, the entire Materials Project team Patrick Huck @tschaume, @ruo_xi_yang, @jsnmunro, Tyler Mathis, Aaron Kaplan and coauthors on documenting the remarkable growth story of MP in Nature Materials! 🎉. Paper: