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68 Results
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Poster
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Tue 8:45 |
Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer Namkyeong Lee · Heewoong Noh · Sungwon Kim · Dongmin Hyun · Gyoung S. Na · Chanyoung Park |
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Poster
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Thu 8:45 |
Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration Haitao Lin · Yufei Huang · Odin Zhang · Yunfan Liu · Lirong Wu · Siyuan Li · Zhiyuan Chen · Stan Z. Li |
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Poster
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Thu 8:45 |
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules Haiyang Yu · Meng Liu · Youzhi Luo · Alex Strasser · Xiaofeng Qian · Xiaoning Qian · Shuiwang Ji |
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Poster
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Tue 15:15 |
GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising Hyeonsu Kim · Jeheon Woo · SEONGHWAN KIM · Seokhyun Moon · Jun Hyeong Kim · Woo Youn Kim |
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Poster
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Thu 8:45 |
A Hierarchical Training Paradigm for Antibody Structure-sequence Co-design Fang Wu · Stan Z. Li |
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Poster
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Wed 8:45 |
FABind: Fast and Accurate Protein-Ligand Binding Qizhi Pei · Kaiyuan Gao · Lijun Wu · Jinhua Zhu · Yingce Xia · Shufang Xie · Tao Qin · Kun He · Tie-Yan Liu · Rui Yan |
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Poster
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Tue 15:15 |
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents Xiuyuan Hu · Guoqing Liu · Yang Zhao · Hao Zhang |
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Poster
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Tue 8:45 |
Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model Shiwei Liu · Tian Zhu · Milong Ren · Chungong Yu · Dongbo Bu · Haicang Zhang |