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16 Results
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Poster
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Tue 14:00 |
Uncertainty Estimation for Molecules: Desiderata and Methods Tom Wollschläger · Nicholas Gao · Bertrand Charpentier · Mohamed Amine Ketata · Stephan Günnemann |
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Poster
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Thu 16:30 |
Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D Bo Qiang · Yuxuan Song · Minkai Xu · Jingjing Gong · Bowen Gao · Hao Zhou · Wei-Ying Ma · Yanyan Lan |
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Poster
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Thu 13:30 |
Quantum 3D Graph Learning with Applications to Molecule Embedding Ge Yan · Huaijin Wu · Junchi Yan |
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Poster
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Thu 16:30 |
Geometric Latent Diffusion Models for 3D Molecule Generation Minkai Xu · Alexander Powers · Ron Dror · Stefano Ermon · Jure Leskovec |
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Poster
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Thu 13:30 |
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining Shengchao Liu · weitao du · Zhiming Ma · Hongyu Guo · Jian Tang |
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Poster
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Wed 14:00 |
FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning Songtao Liu · Zhengkai Tu · Minkai Xu · Zuobai Zhang · Lu Lin · ZHITAO YING · Jian Tang · Peilin Zhao · Dinghao Wu |
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Poster
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Tue 14:00 |
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation Xingang Peng · Jiaqi Guan · qiang liu · Jianzhu Ma |
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Workshop
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Accelerating Molecular Graph Neural Networks via Knowledge Distillation Filip Ekström Kelvinius · Dimitar Georgiev · Artur Toshev · Johannes Gasteiger |
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Workshop
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Hybrid Diffusions for Stable Molecular Structure Generation via Explicit Energy-based Model Youngwoo Cho · Seunghoon Yi · Sookyung Kim · Hongkee Yoon · Joonseok Lee |
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Workshop
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Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes Justin Diamond · Markus Lill |
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Workshop
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ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback Shengchao Liu · Jiongxiao Wang · Yijin Yang · Chengpeng Wang · Ling Liu · Hongyu Guo · Chaowei Xiao |
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Workshop
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Sat 12:05 |
Geometric ML for designing new molecules Michael M. Bronstein |