Mini-MuMMI is a deployable, open-source version of the MuMMI multiscale MD workflow, demonstrated by a Frontier campaign that generated 1,983 structures and 1.1 ms of coarse-grained simulation time between two RAS-RAF states.
Scaling of multimillion-atom biological molecular dynamics simulation on a petascale supercomputer
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Machine Learning-driven Multiscale MD Workflows: The Mini-MuMMI Experience
Mini-MuMMI is a deployable, open-source version of the MuMMI multiscale MD workflow, demonstrated by a Frontier campaign that generated 1,983 structures and 1.1 ms of coarse-grained simulation time between two RAS-RAF states.