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Oral
Wed 10:45 3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
Yinan Huang · Xingang Peng · Jianzhu Ma · Muhan Zhang
Spotlight
Wed 13:30 A New Perspective on the Effects of Spectrum in Graph Neural Networks
Mingqi Yang · Yanming Shen · Rui Li · Heng Qi · Qiang Zhang · Baocai Yin
Poster
Wed 15:30 A New Perspective on the Effects of Spectrum in Graph Neural Networks
Mingqi Yang · Yanming Shen · Rui Li · Heng Qi · Qiang Zhang · Baocai Yin
Spotlight
Wed 8:35 Proximal Exploration for Model-guided Protein Sequence Design
Zhizhou Ren · Jiahan Li · Fan Ding · Yuan Zhou · Jianzhu Ma · Jian Peng
Poster
Wed 15:30 Proximal Exploration for Model-guided Protein Sequence Design
Zhizhou Ren · Jiahan Li · Fan Ding · Yuan Zhou · Jianzhu Ma · Jian Peng
Spotlight
Wed 11:15 Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
Xingang Peng · Shitong Luo · Jiaqi Guan · Qi Xie · Jian Peng · Jianzhu Ma
Poster
Wed 15:30 Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
Xingang Peng · Shitong Luo · Jiaqi Guan · Qi Xie · Jian Peng · Jianzhu Ma
Poster
Thu 15:00 Antibody-Antigen Docking and Design via Hierarchical Structure Refinement
Wengong Jin · Regina Barzilay · Tommi Jaakkola
Spotlight
Thu 7:45 Antibody-Antigen Docking and Design via Hierarchical Structure Refinement
Wengong Jin · Regina Barzilay · Tommi Jaakkola
Spotlight
Wed 13:55 Conformal Prediction Sets with Limited False Positives
Adam Fisch · Tal Schuster · Tommi Jaakkola · Regina Barzilay
Poster
Wed 15:30 Conformal Prediction Sets with Limited False Positives
Adam Fisch · Tal Schuster · Tommi Jaakkola · Regina Barzilay
Poster
Thu 15:00 Kernel Methods for Radial Transformed Compositional Data with Many Zeros
Junyoung Park · Changwon Yoon · Cheolwoo Park · Jeongyoun Ahn