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61 Results
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Poster
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Tue 7:30 |
One Transformer Can Understand Both 2D & 3D Molecular Data Shengjie Luo · Tianlang Chen · Yixian Xu · Shuxin Zheng · Tie-Yan Liu · Liwei Wang · Di He |
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Workshop
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Fri 10:00 |
Molecular Fragment-based Diffusion Model for Drug Discovery Daniel Levy · Jarrid Rector-Brooks |
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Workshop
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Fri 4:45 |
SmilesFormer: Language Model for Molecular Design Joshua Owoyemi · Nazim Medzhidov |
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Workshop
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Denoising Diffusion Probabilistic Models to Predict the Number Density of Molecular Clouds in Astronomy Duo Xu · Jonathan Tan · Chia-Jung Hsu · Ye Zhu |
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Workshop
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Fri 3:40 |
Do deep learning models really outperform traditional approaches in molecular docking? Yuejiang Yu · Shuqi Lu · Zhifeng Gao · Hang Zheng · Guolin Ke |
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Poster
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Tue 7:30 |
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Gabriele Corso · Hannes Stärk · Bowen Jing · Regina Barzilay · Tommi Jaakkola |
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Poster
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O-GNN: incorporating ring priors into molecular modeling Jinhua Zhu · Kehan Wu · Bohan Wang · Yingce Xia · Shufang Xie · Qi Meng · Lijun Wu · Tao Qin · Wengang Zhou · Houqiang Li · Tie-Yan Liu |
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Poster
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Tue 7:30 |
A Graph Neural Network Approach to Automated Model Building in Cryo-EM Maps Kiarash Jamali · Dari Kimanius · Sjors Scheres |
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Poster
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Joint Edge-Model Sparse Learning is Provably Efficient for Graph Neural Networks shuai ZHANG · Meng Wang · Pin-Yu Chen · Sijia Liu · Songtao Lu · Miao Liu |
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Poster
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Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao · Min Zhao · Zhongkai Hao · Peiyao Li · Chongxuan Li · Jun Zhu |
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Poster
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Wed 2:30 |
GAMR: A Guided Attention Model for (visual) Reasoning Mohit Vaishnav · Thomas Serre |
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Poster
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Dual Student Networks for Data-Free Model Stealing James Beetham · Navid Kardan · Ajmal Mian · Mubarak Shah |