3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates
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DOI: 10.3390/molecules28010321
Abstract: Developing molecular generative models for directly generating 3D conformation has recently become a hot research area. Here, an autoencoder based generative model was proposed for molecular conformation generation. A unique feature of our method is… read more here.
Keywords: embedded relative; conformation; graph information; generative models ... See more keywords