• License: MIT
• Home: https://github.com/SimonBoothroyd/absolv
• Development: https://github.com/SimonBoothroyd/absolv
• Documentation: https://simonboothroyd.github.io/absolv/latest/
• 2496 total downloads
• Last upload: 9 months and 9 days ago

Description

A framework that aims to offer a simple API for computing the change in free energy when transferring a solute from one solvent to another, or to vacuum in the case of solvation free energy calculations.