10 citations · 22 across the 12 of their papers we have counts for
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q-bio.BM2024★ 3 cited
Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
Keyue Qiu, Yuxuan Song, Jie Yu +7
Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exe…
q-bio.BM2024★ 10 cited
MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space
Yanru Qu, Keyue Qiu, Yuxuan Song +5
Generative models for structure-based drug design (SBDD) have shown promising results in recent years. Existing works mainly focus on how to generate molecules with higher binding…
physics.chem-ph2024★ 3 cited
Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks
Yuxuan Song, Jingjing Gong, Yanru Qu +4
Advanced generative model (e.g., diffusion model) derived from simplified continuity assumptions of data distribution, though showing promising progress, has been difficult to appl…