The Simulated Materials Ecosystem (Simmate) is a toolbox and framework for computational materials research. It lets you explore various crystal databases, predict new materials, and quickly calculate properties.
This Github repo holds all of our source code. Before getting started here, you may way to check out...
- our main website at simmate.org
- our tutorials and documentation at jacksund.github.io/simmate
Post your question or feedback here in our discussion section.
Even if it's a question like "How do I download all structures with x, y, and z properties?", let us help out and point you in the right direction!