A repository which provides a nearly automated workflow for the automated optimization and assessment of the non-bonded interaction parameters of force fields against physical property data sets.
Copyright (c) 2020, Simon Boothroyd
A management system for optimising and benchmarking molecular force fields against physical property data.
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SimonBoothroyd/nonbonded
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A management system for optimising and benchmarking molecular force fields against physical property data.
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