"Crystal-LSBO: Automated Design of De Novo Crystals With Latent Space ..."

Onur Boyar et al. (2025)

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DOI: 10.1162/NECO_A_01767

access: closed

type: Journal Article

metadata version: 2025-08-14

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Onur Boyar, Yanheng Gu, Yuji Tanaka, Shunsuke Tonogai, Tomoya Itakura, Ichiro Takeuchi:
Crystal-LSBO: Automated Design of De Novo Crystals With Latent Space Bayesian Optimization. Neural Comput. 37(8): 1505-1527 (2025)

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