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Multitask machine learning collective variable for 5D models and alanine dipeptide

Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)

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Title Multitask machine learning collective variable for 5D models and alanine dipeptide
 
Identifier https://doi.org/10.7910/DVN/XLD7VD
 
Creator Sun, Lixin
 
Publisher Harvard Dataverse
 
Description Simulation scripts, training scripts, and training/test sets for 5D Mueller-Brown and three-hole model published in the paper.
 
Subject Physics
 
Contributor Sun, Lixin