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47 Results
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Poster
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Tue 2:30 |
GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation Haitao Lin · Lirong Wu · Yufei Huang · Yunfan Liu · Odin Zhang · Yuanqing Zhou · Rui Sun · Stan Z Li |
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Workshop
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Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space Mohamed Amine Ketata · Nicholas Gao · Johanna Sommer · Tom Wollschläger · Stephan Günnemann |
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Poster
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Tue 2:30 |
Generative Enzyme Design Guided by Functionally Important Sites and Small-Molecule Substrates Zhenqiao Song · Yunlong Zhao · Wenxian Shi · Wengong Jin · Yang Yang · Lei Li |
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Workshop
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MolGene-E: Inverse Molecular Design to Modulate Single Cell Transcriptomics Rahul Ohlan · Raswanth Murugan · Li Xie · Mohammadsadeq Mottaqi · Shuo Zhang · Lei Xie |
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Poster
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Thu 2:30 |
Position: Social Environment Design Should be Further Developed for AI-based Policy-Making Edwin Zhang · Sadie Zhao · Tonghan Wang · Safwan Hossain · Henry Gasztowtt · Stephan Zheng · David Parkes · Milind Tambe · Yiling Chen |
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Poster
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Thu 2:30 |
Sample-specific Masks for Visual Reprogramming-based Prompting Chengyi Cai · Zesheng Ye · Lei Feng · Jianzhong Qi · Feng Liu |
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Poster
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Tue 2:30 |
Harmonic Self-Conditioned Flow Matching for joint Multi-Ligand Docking and Binding Site Design Hannes Stärk · Bowen Jing · Regina Barzilay · Tommi Jaakkola |
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Workshop
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Enhancing Protein Design Robustness through Noise-Informed Sequence Design Yehlin Cho · Sergey Ovchinnikov · Christopher Frank |
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Workshop
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Fri 0:00 |
ML for Life and Material Science: From Theory to Industry Applications Aviv Regev · Andrea Volkamer · Bruno Trentini · Cecilia Clementi · Charles Harris · Charlotte Deane · Christian Dallago · Ellen Zhong · Francesca Grisoni · Jinwoo Leem · Kevin Yang · Marwin Segler · Michael Pieler · Nicholas Sofroniew · Olivia Viessmann · Peter Koo · Pranam Chatterjee · Puck Van Gerwen · Rebecca Lindsay · Umberto Lupo · Ying Wai Li |
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Workshop
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NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries Ewa M. Nowara · Pedro O. Pinheiro · Sai Pooja Mahajan · Omar Mahmood · Andrew Watkins · Saeed Saremi · Michael Maser |
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Workshop
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Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design Shengchao Liu · Divin Yan · weitao du · Weiyang Liu · Hongyu Guo · Christian Borgs · Jennifer Chayes · Anima Anandkumar |
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Poster
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Thu 2:30 |
Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design Leo Klarner · Tim G. J. Rudner · Garrett Morris · Charlotte Deane · Yee-Whye Teh |