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Theoretical and Computational Chemistry

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Variational autoencoder (VAE)

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2 results in Keywords: Variational autoencoder (VAE)

Theoretical and Computational Chemistry

Deep generative model of constructing chemical latent space for large molecular structures with 3D complexity

Toshiki Ochiai, Tensei Inukai, Manato Akiyama, Kairi Furui, Masahito Ohue, Nobuaki Matsumori, Shinsuke Inuki, Motonari Uesugi, Toshiaki Sunazuka, Kazuya Kikuchi, Hideaki Kakeya, Yasubumi Sakakibara

Version 2 posted 29 May 2023

786

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Theoretical and Computational Chemistry

Leveraging Tree-Transformer VAE with fragment tokenization for high-performance large chemical generative model

Tensei Inukai, Aoi Yamato, Manato Akiyama, Yasubumi Sakakibara

Version 3 posted 08 November 2024

471

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