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9 Results
Workshop
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SE(3) Equivariant Topologies for Structure-based Drug Discovery Alvaro Prat · Roy Tal Dew · Hisham Aty · Aurimas Pabrinkis · Orestis Bastas · Tanya Paquet · Gintautas Kamuntavicius · Roy Tal |
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Workshop
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Constrained Multi-objective Bayesian Optimization Diantong Li · Fengxue Zhang · Chong Liu · Yuxin Chen |
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Affinity Event
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DrugAgent: A framework for drug discovery streamlined by an LLM Agent Anushka Shelke · Rohan Kumar · Agneev Ray · Parthiban Srinivasan |
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Workshop
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Sun 9:00 |
Multi scale modeling for drug discovery Animashree Anandkumar |
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Workshop
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Improving generalisability of 3D binding affinity models in low data regimes Julia Milena Buhmann · Ward Haddadin · Alan Bilsland · Lukáš Pravda · Hagen Triendl |
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Workshop
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GFlowNet Pretraining with Inexpensive Rewards Mohit Pandey · Gopeshh Subbaraj · Emmanuel Bengio |
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Workshop
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Sun 12:20 |
GFlowNet Pretraining with Inexpensive Rewards Mohit Pandey · Gopeshh Subbaraj · Emmanuel Bengio |
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Workshop
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Sun 14:15 |
Gap Between Theory and Practice in AI for Drug Discovery + Future Potentials of Foundational Models in Drug Discovery Ryan Peckner · Janet Paulsen · Bruno Trentini · Lindsay Edwards · Kyunghyun Cho |
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Poster
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Fri 11:00 |
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking Yunchao Liu · Ha Dong · Xin Wang · Rocco Moretti · Yu Wang · Zhaoqian Su · Jiawei Gu · Bobby Bodenheimer · Charles Weaver · Jens Meiler · Tyler Derr |