• License: MIT
• Home: https://github.com/wiederm/transformato
• Documentation: https://wiederm.github.io/transformato/
• 2513 total downloads
• Last upload: 18 days and 6 hours ago

Description

Transformato is a tool that creates files for mutating one ligand into another (relative binding free energy). The created files are used to run MD simulations and calculate the resulting free energy differences.