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10 Results
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Poster
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Wed 8:45 |
Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths Lars Holdijk · Yuanqi Du · Ferry Hooft · Priyank Jaini · Berend Ensing · Max Welling |
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Poster
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Thu 15:00 |
Sample-efficient Multi-objective Molecular Optimization with GFlowNets Yiheng Zhu · Jialu Wu · Chaowen Hu · Jiahuan Yan · kim hsieh · Tingjun Hou · Jian Wu |
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Workshop
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Machine Learning Guided AQFEP: A Fast & Efficient Absolute Free Energy Perturbation Solution for Virtual Screening Jordan Crivelli-Decker · Zane Beckwith · Gary Tom · Ly Le · Sheenam Khuttan · Romelia Salomon-Ferrer · Jackson Beall · Andrea Bortolato |
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Workshop
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Target Conditioned GFlowNet for Drug Design Tony Shen · Mohit Pandey · Martin Ester |
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Workshop
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Target Conditioned GFlowNet for Drug Design Tony Shen · Mohit Pandey · Martin Ester |
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Workshop
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Target Conditioned GFlowNet for Drug Design Tony Shen · Mohit Pandey · Martin Ester |
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Poster
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Wed 15:00 |
Injecting Multimodal Information into Rigid Protein Docking via Bi-level Optimization Ruijia Wang · YiWu Sun · Yujie Luo · Shaochuan Li · Cheng Yang · Xingyi Cheng · Hui Li · Chuan Shi · Le Song |
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Workshop
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All You Need is LOVE: Large Optimized Vector Embeddings Network for Drug Repurposing Sina Akbarian · Sepehr Asgarian · Jouhyun Jeon |
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Workshop
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DrugImprover: Utilizing Reinforcement Learning for Multi-Objective Alignment in Drug Optimization Xuefeng Liu · Songhao Jiang · Archit Vasan · Alexander Brace · Ozan Gokdemir · Thomas Brettin · Fangfang Xia · Ian Foster · Rick Stevens |
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Workshop
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DrugImprover: Utilizing Reinforcement Learning for Multi-Objective Alignment in Drug Optimization Xuefeng Liu · Songhao Jiang · Archit Vasan · Alexander Brace · Ozan Gokdemir · Thomas Brettin · Fangfang Xia · Ian Foster · Rick Stevens |