Ties Md | Anaconda.org

conda-forge / packages / ties_md 1.4.1

0

Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.

copied from cf-staging / ties_md

License: LGPL-3.0-only
Home: https://github.com/UCL-CCS/TIES_MD
Development: https://github.com/UCL-CCS/TIES_MD
Documentation: https://ucl-ccs.github.io/TIES_MD/
4564 total downloads
Last upload: 2 years and 2 months ago

Installers

noarch v1.4.1

conda install

To install this package run one of the following:
conda install conda-forge::ties_md

Description

TIES_MD allows for the automation of binding free energy calculations in NAMD and OpenMM following the TIES protocol.

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