Openmm Atmmetaforce Plugin

conda-forge / packages / openmm-atmmetaforce-plugin 0.3.5

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The Alchemical Transfer Method Plugin for OpenMM

copied from cf-staging / openmm-atmmetaforce-plugin

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License: LGPL-2.0-only
Home: https://github.com/Gallicchio-Lab/openmm-atmmetaforce-plugin.git
Development: https://github.com/Gallicchio-Lab/openmm-atmmetaforce-plugin.git
Documentation: https://github.com/Gallicchio-Lab/async_re-openmm/tree/master/examples
199010 total downloads
Last upload: 1 year and 2 months ago

Installers

linux-64 v0.3.5
win-64 v0.3.5
osx-64 v0.3.5

conda install

To install this package run one of the following:
conda install conda-forge::openmm-atmmetaforce-plugin

Description

This plugin implements the Alchemical Transfer Potential (ATM) for the calculation of absolute and relative binding free energies of molecular complexes in OpenMM, a high performance toolkit for molecular simulation.

conda-forge / packages / openmm-atmmetaforce-plugin 0.3.5 0

Installers

conda install

Description

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conda-forge / packages / openmm-atmmetaforce-plugin 0.3.5

0