Computational chemistry research group of Prof. J. W. Essex.
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University of Southampton
- Southampton, UK
- www.essexgroup.soton.ac.uk
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grand-paper
grand-paper PublicScripts and files used in: "grand: A Python Module for Grand Canonical Water Sampling in OpenMM"
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gcncmc-paper
gcncmc-paper PublicScripts and files used in: "Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo"
Python 2
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