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GPU code analysing QUBEKit-generated molecules

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Name		Name	Last commit message	Last commit date
Latest commit History 27 Commits
GMX		GMX
gas		gas
liquid		liquid
utils		utils
.gitignore		.gitignore
LICENSE.txt		LICENSE.txt
README.md		README.md
forcebalance.py		forcebalance.py
liquid_prep.py		liquid_prep.py
properties.py		properties.py
run.py		run.py

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QUBEBench

GPU code for analysing liquid properties of QUBEKit-generated molecules

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GPU code analysing QUBEKit-generated molecules

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