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STAR-VAE: A Scalable Latent-Variable Transformer for Controllable Molecular Generation

Kwon, Bum Chul et al.
arXiv (All) · Papers
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biomolecules
Many molecular Transformers lack probabilistic latent variables for posterior inference and latent interpolation. We introduce STAR-VAE, a SELFIES-encoded, Transformer-based, AutoRegressive Variational AutoEncoder combining a bidirectional encoder with an autoregressive decoder pretrained on 79 mill
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