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Workshop
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MetaDTA: Meta-learning-based drug-target binding affinity prediction Eunjoo Lee · Jiho Yoo · Huisun Lee · Seunghoon Hong |
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Workshop
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The Rosenbluth sampling Calculation of Hydrophobic-Polar Model Marcin Wierzbinski · Alessandro Crimi |
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Spotlight
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Mon 18:30 |
Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design Wengong Jin · Jeremy Wohlwend · Regina Barzilay · Tommi Jaakkola |
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Poster
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Mon 18:30 |
Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design Wengong Jin · Jeremy Wohlwend · Regina Barzilay · Tommi Jaakkola |
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Workshop
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Contrastive learning of image- and structure-based representations in drug discovery Ana Sanchez-Fernandez · Elisabeth Rumetshofer · Sepp Hochreiter · Günter Klambauer |
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Poster
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Wed 10:30 |
GeneDisco: A Benchmark for Experimental Design in Drug Discovery Arash Mehrjou · Ashkan Soleymani · Andrew Jesson · Pascal Notin · Yarin Gal · Stefan Bauer · Patrick Schwab |
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Workshop
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Fri 6:00 |
Machine Learning for Drug Discovery (MLDD) Pascal Notin · Stefan Bauer · Andrew Jesson · Yarin Gal · Patrick Schwab · Debora Marks · Sonali Parbhoo · Ece Ozkan · Clare Lyle · Ashkan Soleymani · Júlia Domingo · Arash Mehrjou · Melanie Fernandez Pradier · Anna Bauer-Mehren · Max Shen |
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Workshop
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Physics-informed deep neural network for rigid-body protein docking Freyr Sverrisson · Jean Feydy · Joshua Southern · Michael Bronstein · Bruno Correia |
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Workshop
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Fri 12:45 |
Physics-informed deep neural network for rigid-body protein docking Freyr Sverrisson · Jean Feydy · Joshua Southern · Michael Bronstein · Bruno Correia |
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Workshop
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Deep Learning Model for Flexible and Efficient Protein-Ligand Docking Matthew Masters · Amr Mahmoud · Yao Wei · Markus Lill |
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Workshop
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Predicting single-cell perturbation responses for unseen drugs Leon Hetzel · Simon Boehm · Niki Kilbertus · Stephan Günnemann · Mohammad Lotfollahi · Fabian Theis |
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Workshop
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Fri 7:40 |
Predicting single-cell perturbation responses for unseen drugs Leon Hetzel · Simon Boehm · Niki Kilbertus · Stephan Günnemann · Mohammad Lotfollahi · Fabian Theis |