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4 Results
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Poster
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Wed 17:00 |
Learning Subpocket Prototypes for Generalizable Structure-based Drug Design Zaixi Zhang · Qi Liu |
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Workshop
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Graph Neural Network Powered Bayesian Optimization for Large Molecular Spaces Miles Wang-Henderson · Bartu Soyuer · Parnian Kassraie · Andreas Krause · Ilija Bogunovic |
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Poster
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Thu 16:30 |
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design Jiaqi Guan · Xiangxin Zhou · Yuwei Yang · Yu Bao · Jian Peng · Jianzhu Ma · Qiang Liu · Liang Wang · Quanquan Gu |
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Workshop
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Reinforcement Learning-Driven Linker Design via Fast Attention-based Point Cloud Alignment Rebecca Manuela Neeser · Mehmet Akdel · Daniel Kovtun · Luca Naef |