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10 Results
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Workshop
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Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation Han Huang · Leilei Sun · Bowen Du · Weifeng Lv |
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Workshop
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Towards automated crystallographic structure refinement with a differentiable pipeline Minhuan Li · Doeke Hekstra |
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Workshop
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Online Inference of Structure Factor Amplitudes for Serial X-ray Crystallography Kevin Dalton · Doeke Hekstra |
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Workshop
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Fast protein structure searching using structure graph embeddings Joe Greener · Kiarash Jamali |
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Workshop
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Structural Causal Model for Molecular Dynamics Simulation Qi Liu · Yuanqi Du · Fan Feng · Qiwei Ye · Jie Fu |
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Poster
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Wed 9:00 |
Torsional Diffusion for Molecular Conformer Generation Bowen Jing · Gabriele Corso · Jeffrey Chang · Regina Barzilay · Tommi Jaakkola |
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Workshop
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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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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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Tue 9:00 |
CEDe: A collection of expert-curated datasets with atom-level entity annotations for Optical Chemical Structure Recognition Rodrigo Hormazabal · Changyoung Park · Soonyoung Lee · Sehui Han · Yeonsik Jo · Jaewan Lee · Ahra Jo · Seung Hwan Kim · Jaegul Choo · Moontae Lee · Honglak Lee |
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Workshop
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MoleculeCLIP: Learning Transferable Molecule Multi-Modality Models via Natural Language Shengchao Liu · Weili Nie · Chengpeng Wang · Jiarui Lu · Zhuoran Qiao · Ling Liu · Jian Tang · Anima Anandkumar · Chaowei Xiao |