DeepCV: A Deep Learning Framework for Blind Search of Collective Variables in Expanded Configurational Space
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DOI: 10.1021/acs.jcim.2c00883
Abstract: We present Deep learning for Collective Variables (DeepCV), a computer code that provides an efficient and customizable implementation of the deep autoencoder neural network (DAENN) algorithm that has been developed in our group for computing… read more here.
Keywords: deepcv deep; collective variables; deep learning; framework ... See more keywords