• License: MIT
• Home: https://github.com/Psivant/femto
• Development: https://github.com/psivant/femto
• Documentation: https://psivant.github.io/femto/latest/
• 1541 total downloads
• Last upload: 5 months and 5 days ago

Description

A framework that aims to offer not only a compact and comprehensive toolkit for predicting binding free energies using methods including ATM and SepTop, but also a full suite of utilities for running advanced simulations using OpenMM, including support for HREMD and REST2.