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23 Results
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Workshop
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CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation Danny Reidenbach · Aditi Krishnapriyan |
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Workshop
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Generating Molecular Conformer Fields Yuyang Wang · Ahmed Elhag · Navdeep Jaitly · Joshua Susskind · Miguel Angel Bautista |
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Workshop
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UMD-fit: Generating Realistic Ligand Conformations for Distance-Based Deep Docking Models Eric Alcaide · Ziyao Li · Hang Zheng · Zhifeng Gao · Guolin Ke |
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Workshop
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Fri 14:20 |
Graph-to-String Variational Autoencoder for Synthetic Polymer Design Gabriel Vogel · Paolo Sortino · Jana M. Weber |
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Workshop
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Data-Efficient Molecular Generation with Hierarchical Textual Inversion Seojin Kim · Jaehyun Nam · Sihyun Yu · Younghoon Shin · Jinwoo Shin |
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Workshop
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DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model Wei Lu · Jixian Zhang · Huang Weifeng · Ziqiao Zhang · Chengtao Li · Shuangjia Zheng |
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Workshop
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Gotta be SAFE: A new Framework for Molecular Design Emmanuel Noutahi · Cristian Gabellini · Michael Craig · Jonathan Siu Chi Lim · Prudencio Tossou |
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Workshop
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Gotta be SAFE: A New Framework for Molecular Design Emmanuel Noutahi · Cristian Gabellini · Michael Craig · Jonathan Siu Chi Lim · Prudencio Tossou |
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Workshop
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Analysis of cellular phenotypes with image-based generative models Ruben Fonnegra · Mohammad Vali Sanian · Zitong Sam Chen · Lassi Paavolainen · Juan C. Caicedo |
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Workshop
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Analysis of cellular phenotypes with image-based generative models Ruben Fonnegra · Mohammad Vali Sanian · Zitong Sam Chen · Lassi Paavolainen · Juan C. Caicedo |
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Workshop
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Towards equilibrium molecular conformation generation with GFlowNets Alexandra Volokhova · Michał Koziarski · Alex Hernandez-Garcia · Chenghao Liu · Santiago Miret · Pablo Lemos · Luca Thiede · Zichao Yan · Alan Aspuru-Guzik · Yoshua Bengio |