• License: MIT AND BSD-3-Clause
• Home: https://github.com/SimonBoothroyd/descent
• Development: https://github.com/SimonBoothroyd/descent
• Documentation: https://github.com/SimonBoothroyd/descent
• 4906 total downloads
• Last upload: 2 months and 11 days ago

Description

A framework that aims to offer a modern API for training classical force field parameters (either from a traditional format such as SMIRNOFF or from some ML model) against reference data using pytorch.