anncolvar

Submitted by spiwokv on Mon, 04/01/2019 - 16:35

A special forthcoming issue of Frontiers in Molecular Biosciences on Machine Learning in Biomolecular Simulations will contain our article anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations. The program anncolvar makes it possible to approximate difficult or impossible to calculate collective variable for metadynamics or other biased simulation in Plumed. Try anncolvar at GitHub or PIPy.

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anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations. The program anncolvar makes it possible to approximate difficult or impossible to calculate collective variable for metadynamics or other biased simulation in Plumed." data-share-imageurl="http://metadyn.vscht.cz/sites/default/files/field/image/front.png">