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26 Results
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Poster
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Fri 16:30 |
Graph Diffusion Transformers for Multi-Conditional Molecular Generation Gang Liu · Jiaxin Xu · Tengfei Luo · Meng Jiang |
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Workshop
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Deterministic global optimization for sample-efficient molecular design with generative machine learning Jan Rittig · Malte Franke · Alexander Mitsos |
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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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Imporving Molecular Graph Generation with Flow Matching and Optimal Transport Xiaoyang Hou · Tian Zhu · Milong Ren · Dongbo Bu · Xin Gao · Chunming Zhang · Shiwei Sun |
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Poster
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Wed 11:00 |
Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation Kehan Guo · Bozhao Nan · Yujun Zhou · Taicheng Guo · Zhichun Guo · Mihir Surve · Zhenwen Liang · Nitesh Chawla · Olaf Wiest · Xiangliang Zhang |
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Workshop
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MolGen-Transformer: An open-source self-supervised model for Molecular Generation and Latent Space Exploration Chih-Hsuan Yang · Rebekah Duke · Parker Sornberger · Moses Dominic · Chad Risko · Baskar Ganapathysubramanian |
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Poster
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Fri 11:00 |
Unified Guidance for Geometry-Conditioned Molecular Generation Sirine Ayadi · Leon Hetzel · Johanna Sommer · Fabian Theis · Stephan Günnemann |
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Poster
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Fri 11:00 |
SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning JIYING ZHANG · Zijing Liu · Yu Wang · Bin Feng · Yu Li |
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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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Poster
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Wed 11:00 |
ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation Majdi Hassan · Nikhil Shenoy · Jungyoon Lee · Hannes Stärk · Stephan Thaler · Dominique Beaini |
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Poster
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Thu 11:00 |
RGFN: Synthesizable Molecular Generation Using GFlowNets Michał Koziarski · Andrei Rekesh · Dmytro Shevchuk · Almer van der Sloot · Piotr Gaiński · Yoshua Bengio · Chenghao Liu · Mike Tyers · Robert Batey |
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Workshop
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Sat 11:12 |
Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation Jeff Guo · Philippe Schwaller |