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16 Results
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Workshop
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Robust task-specific adaption of models for drug-target interaction prediction Emma Svensson · Pieter-Jan Hoedt · Sepp Hochreiter · Günter Klambauer |
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Workshop
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Predicting Drug-Drug Interactions using Deep Generative Models on Graphs Khang Ngo · Truong Son Hy · Risi Kondor |
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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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Expo Talk Panel
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Mon 14:00 |
Integrating modern machine learning and single cell technologies into drug target discovery - lessons from the frontline. Lindsay Edwards |
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Workshop
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Retrieval-based Controllable Molecule Generation Jack Wang · Weili Nie · Zhuoran Qiao · Chaowei Xiao · Richard Baraniuk · Anima Anandkumar |
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Workshop
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Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design Ilia Igashov · Hannes Stärk · Clément Vignac · Victor Garcia Satorras · Pascal Frossard · Max Welling · Michael Bronstein · Bruno Correia |
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Workshop
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Meta-learning Adaptive Deep Kernel Gaussian Processes for Molecular Property Prediction Wenlin Chen · Austin Tripp · José Miguel Hernández-Lobato |
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Workshop
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Fri 9:30 |
Deep Fitness Inference for Drug Discovery with Directed Evolution Nathaniel Diamant · Ziqing Lu · Christina Helmling · Kangway Chuang · Christian Cunningham · Tommaso Biancalani · Gabriele Scalia · Max Shen |
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Workshop
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MolE: a molecular foundation model for drug discovery Oscar Méndez-Lucio · Christos Nicolaou · Berton Earnshaw |
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Workshop
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Deep Fitness Inference for Drug Discovery with Directed Evolution Nathaniel Diamant · Ziqing Lu · Christina Helmling · Kangway Chuang · Christian Cunningham · Tommaso Biancalani · Gabriele Scalia · Max Shen |
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Poster
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Tue 14:00 |
Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks Arian Jamasb · Ramon Viñas Torné · Eric Ma · Yuanqi Du · Charles Harris · Kexin Huang · Dominic Hall · Pietro Lió · Tom Blundell |
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Poster
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Tue 9:00 |
Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution Leon Hetzel · Simon Boehm · Niki Kilbertus · Stephan Günnemann · mohammad lotfollahi · Fabian Theis |