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33 Results
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Panel
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Tue 17:15 |
Panel 2A-1: Molecule Generation by… & Torsional Diffusion for… Bowen Jing · Xiangzhe Kong |
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Poster
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Wed 14:00 |
Reinforced Genetic Algorithm for Structure-based Drug Design Tianfan Fu · Wenhao Gao · Connor Coley · Jimeng Sun |
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Poster
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Learning Substructure Invariance for Out-of-Distribution Molecular Representations Nianzu Yang · Kaipeng Zeng · Qitian Wu · Xiaosong Jia · Junchi Yan |
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Poster
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Wed 9:00 |
Local Latent Space Bayesian Optimization over Structured Inputs Natalie Maus · Haydn Jones · Juston Moore · Matt Kusner · John Bradshaw · Jacob Gardner |
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Poster
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Thu 9:00 |
Molecule Generation by Principal Subgraph Mining and Assembling Xiangzhe Kong · Wenbing Huang · Zhixing Tan · Yang Liu |
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Poster
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Wed 14:00 |
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields Ilyes Batatia · David P Kovacs · Gregor Simm · Christoph Ortner · Gabor Csanyi |
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Poster
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Wed 14:00 |
Trajectory balance: Improved credit assignment in GFlowNets Nikolay Malkin · Moksh Jain · Emmanuel Bengio · Chen Sun · Yoshua Bengio |
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Poster
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Thu 14:00 |
Modular Flows: Differential Molecular Generation Yogesh Verma · Samuel Kaski · Markus Heinonen · Vikas Garg |
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Poster
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Tue 9:00 |
So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems Thorben Frank · Oliver Unke · Klaus-Robert Müller |
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Poster
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TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction Wei Lu · Qifeng Wu · Jixian Zhang · Jiahua Rao · Chengtao Li · Shuangjia Zheng |
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Poster
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Wed 14:00 |
Probabilistic Transformer: Modelling Ambiguities and Distributions for RNA Folding and Molecule Design Jörg Franke · Frederic Runge · Frank Hutter |
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Poster
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Tue 14:00 |
Diffusion-based Molecule Generation with Informative Prior Bridges Lemeng Wu · Chengyue Gong · Xingchao Liu · Mao Ye · Qiang Liu |