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Exploring Apps & Data

Simmate is a modular framework. It is designed so that you can add or remove specific features to fit your needs. These groups of features are called Simmate Apps.

Think of apps like plugins or extensions for your favorite web browser. By adding apps, you get access to specialized workflows, databases of crystal structures or molecules, and custom dashboards.

1. Start the Server

Simmate comes with a built-in website that you can run locally to explore these apps. Run this command:

simmate run-server

Open your web browser and go to http://127.0.0.1:8000/. You will see your local Simmate dashboard.

2. The Materials Project App

Because you chose the prebuilt database in the last step, several popular apps are already installed and loaded with data.

A familiar starting point for most researchers is the Materials Project app. This app provides access to the Materials Project database. Because you downloaded the prebuilt data, you can:

  • Search through over 200,000 crystal structures from the Materials Project locally on your computer.
  • View and manage your data without needing an internet connection.

Info

While the Materials Project app provides ~200,000 structures, Simmate's database as a whole contains even more data from sources like AFLOW, COD, and ChEMBL, all of which are available for local search and analysis.

Searching the Data

On the left side of your dashboard, find the link to the Materials Project and click on it. You can search for structures by:

  • Formula: Search for "NaCl" or "Fe2O3".
  • Spacegroup: Search for structures with a specific symmetry (like "Pbnm").
  • ID: Search for a specific "mp-id" (like "mp-149").

Click on any structure to view its 3D interactive crystal structure, calculated properties, and links to the official Materials Project website.

3. Explore Other Apps

In your local dashboard, click on the Apps tab.

This tab lists the apps that provide their own custom user interface and dashboards. Many other apps are also installed "under the hood"—even if they don't have a dedicated page in the Apps tab, they still provide new datasets and workflows that you can find in the Search and Workflows tabs.

Most popular apps are installed by default, providing a wide range of data and features for your research.