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Andre Merzky

Scalable Runtime Architecture for Data-driven, Hybrid HPC and ML Workflow Applications

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Mar 17, 2025
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Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening

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Jun 30, 2021
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Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers

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Mar 04, 2021
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