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cs.LG2023★ 1 cited
Objective-Agnostic Enhancement of Molecule Properties via Multi-Stage VAE
Chenghui Zhou, Barnabas Poczos
Variational autoencoder (VAE) is a popular method for drug discovery and various architectures and pipelines have been proposed to improve its performance. However, VAE approaches…
cs.LG2022
Improving Molecule Properties Through 2-Stage VAE
Chenghui Zhou, Barnabas Poczos
Variational autoencoder (VAE) is a popular method for drug discovery and there had been a great deal of architectures and pipelines proposed to improve its performance. But the VAE…