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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

A Tree-Transformer based VAE with fragment tokenization for large chemical models

Tensei Inukai, Aoi Yamato, Manato Akiyama, Yasubumi Sakakibara

Version 2 posted 24 June 2024

157

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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

714

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