462 citations · 2.5k across the 127 of their papers we have counts for
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q-bio.BM2024★ 26 cited
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
Jiaqi Guan, Xiangxin Zhou, Yuwei Yang +6
Designing 3D ligands within a target binding site is a fundamental task in drug discovery. Existing structured-based drug design methods treat all ligand atoms equally, which ignor…
cs.LG2024
Nearly Minimax Optimal Regret for Learning Linear Mixture Stochastic Shortest Path
Qiwei Di, Jiafan He, Dongruo Zhou +1
We study the Stochastic Shortest Path (SSP) problem with a linear mixture transition kernel, where an agent repeatedly interacts with a stochastic environment and seeks to reach ce…