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Workshop
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VehicleSDF: A 3D generative model for constrained engineering design via surrogate modeling
Hayata Morita · Kohei Shintani · Chenyang Yuan · Frank Permenter
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Workshop
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Sat 11:12
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Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation
Jeff Guo · Philippe Schwaller
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Workshop
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Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation
Jeff Guo · Philippe Schwaller
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Workshop
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A Safety-aware Framework for Generative Enzyme Design with Foundation Models
Xiaoyi Fu · Tao Han · Yuan Yao · Song Guo
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Workshop
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Directly Optimizing for Synthesizability in Generative Molecular Design using Retrosynthesis Models
Jeff Guo · Philippe Schwaller
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Workshop
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Evaluating synergies among generative design models for multi-objective optimization of drug-like proteins
June Shin · Nathan Rollins · Jordan Anderson · Grace Carey · Allison Colthart · Thomas Hopf · Ivan Mascanfroni · Jyothsna Visweswaraiah · Yi Xing · Kevin Otipoby · Nathan Higginson-Scott · Ryan Peckner
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Workshop
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EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics
Chenqing Hua · Yong Liu · Dinghuai Zhang · Odin Zhang · Sitao Luan · Kevin Yang · Guy Wolf · Doina Precup · Shuangjia Zheng
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Workshop
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Dynamic Beam Enumeration: A Bridge Between Generative Molecular Design and Library Screening
Victoire Lang · Jeff Guo · Philippe Schwaller
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Workshop
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ProtDiff: Function-Conditioned Masked Diffusion Models for Robust Directed Protein Generation
Vishrut Thoutam
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