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Ocetkiewicz, Krzysztof; Czaplewski, Cezary; Krawczyk, Henryk; Lipska, Agnieszka G.; Liwo, Adam; Proficz, Jerzy; Sieradzan, Adam K.; Czarnul, Paweł, 2025, "Raw data and source data for figures in Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems investigation", https://doi.org/10.18150/6NHILP, RepOD, V1
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Dataset containing input data and raw data for selected figures in "Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems" publication.
For details see README.txt file.
Multi-GPU scalability, UNRES, Coarse graining, Protein dynamics, High performance computing
Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems, Krzysztof Ocetkiewicz, Cezary Czaplewski, Henryk Krawczyk, Agnieszka Lipska, Józef Adam Liwo, Jerzy Proficz, Adam Sieradzan, Paweł Czarnul Computer Physics Communication, 2024, 298, 109112 https://doi.org/10.1016/j.cpc.2024.109112 doi: 10.1016/j.cpc.2024.109112
CC BY - Creative Commons Attribution 4.0
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