• License: BSD-3-Clause
• Home: https://simmate.org/
• Development: https://github.com/jacksund/simmate
• Documentation: https://jacksund.github.io/simmate/home/
• 39152 total downloads
• Last upload: 6 months and 12 days ago

Description

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 (electronic, elastic, thermodynamic, and more).