12 citations · 14 across the 5 of their papers we have counts for
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q-bio.BM2024
Conditional Latent Space Molecular Scaffold Optimization for Accelerated Molecular Design
Onur Boyar, Hiroyuki Hanada, Ichiro Takeuchi
The rapid discovery of new chemical compounds is essential for advancing global health and developing treatments. While generative models show promise in creating novel molecules,…
cs.LG2024★ 1 cited
Crystal-LSBO: Automated Design of De Novo Crystals with Latent Space Bayesian Optimization
Onur Boyar, Yanheng Gu, Yuji Tanaka +3
Generative modeling of crystal structures is significantly challenged by the complexity of input data, which constrains the ability of these models to explore and discover novel cr…