CMD + K

femto

Community

A comprehensive toolkit for predicting free energies

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::femto

Usage Tracking

0.3.1
0.3.0
0.3.0rc5
0.3.0rc4
0.3.0rc3
5 / 8 versions selected
Downloads (Last 6 months): 0

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.

About

Summary

A comprehensive toolkit for predicting free energies

Last Updated

Jan 9, 2025 at 13:18

License

MIT

Total Downloads

6.3K

Supported Platforms

noarch