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https://github.com/klarh/bestpracticesvalidationnotebooks


https://github.com/klarh/bestpracticesvalidationnotebooks

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README

        

This repository showcases a proposed workflow for using jupyter
notebooks as a point of reference for comparing multiple molecular
simulation codes. While jupyter notebooks are most commonly run
interactively, these notebooks also utilize signac to serialize the
results for possible synchronization and comparison across different
machines or versions of codes.