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23 Results
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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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MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive Models Michael Maser · Nataša Tagasovska · Jae Hyeon Lee · Andrew Watkins |
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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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Poster
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Tue 8:45 |
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations Rui Feng · Qi Zhu · Huan Tran · Binghong Chen · Aubrey Toland · Rampi Ramprasad · Chao Zhang |
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Workshop
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Leveraging expert feedback to align proxy and ground truth rewards in goal-oriented molecular generation Julien Martinelli · Yasmine Nahal · Duong Lê · Ola Engkvist · Samuel Kaski |
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Workshop
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Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks Yanqiao Zhu · Jeehyun Hwang · Keir Adams · Zhen Liu · Bozhao Nan · Brock Stenfors · Yuanqi Du · Jatin Chauhan · Olaf Wiest · Olexandr Isayev · Connor Coley · Yizhou Sun · Wei Wang |