Beast code in Giters

Emilio Gallicchio's repositories

A python workflow to set up BEDAM binding free energy calculations

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A recursive implementation of Gaussian Molecular Volume algorithm

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The AGBNP3 implicit solvent model

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Asynchronous Replica Exchange Framework for Heterogeneous Computing and BOINC grids

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OpenMM is a toolkit for molecular simulation using high performance GPU code.

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A plugin to add AGBNP3 to OpenMM

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A plugin to add Gaussian surface area model to OpenMM

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