Download Simmate

You can install Simmate to host your own server and access advanced features

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Simmate is a framework and toolkit for materials science

Our primary goal is to provide an all-in-one solution for creating, analyzing, and distributing materials science data. While our website is the end result for many of our features, we encourage users to visit our Github page to see everything Simmate has to offer.

Third-Party Integrations

Access popular databases like the Materials Project, COD, OQMD, and others all in one place. Or if you'd like to run your own calculations, build-in popular codes VASP or LAMMPS into your custom workflows.

Prebuilt Workflows

While currently at the early stages, we are quickly building a library of common materials science workflows. These let you quickly calculate properties using popular softwares like VASP.

A Full-Feature Database

Whether data is from pre-built workflows or even an excel file, Simmate can be used to automatically expand materials science data into python+REST APIs and a dynamically-built web interface.

Common Utilities & Toolbox

Thanks to the PyMatGen community, Simmate contains an abundance of utilities for common materials science analyses - from simple symmetry analysis to complex phase space visualization.

Quick-Startup & Easy Scaling

Run the full server (database, API, interface, etc.) on your local computer, and once you're comfortable, scale to any number of remote resources or HPC clusters in a few lines of code.

Free & Open-Source

Simmate is built on top of other open-source giants like Django, Prefect, Dask, and PyMatGen. This makes every part of our software completely free to install and use.

This software and website was created by Jack Sundberg with the support of the Warren Lab.