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An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning
Nature
The past decade has witnessed rapid progress in deep learning for molecular design, owing to the availability of invertible and invariant representations...
8 months ago
Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling | Scientific ...
Nature
The crystal diffusion variational autoencoder (CDVAE) is a machine learning model that leverages score matching to generate realistic crystal structures...
5 months ago