Yi Zhou, Chan Lu, Yiming Ma, Wei Qu, Fei Ye, Kexin Zhang, Lan Wang, Minrui Gui, Quanquan Gu
Hannes Stark, Felix Faltings, MinGyu Choi, Yuxin Xie, Eunsu Hur, Timothy O’Donnell, Anton Bushuiev, Talip Uçar, Saro Passaro, Weian Mao, Mateo Reveiz, Roman Bushuiev, Tomáš Pluskal, Josef Sivic, Karsten Kreis, Arash Vahdat, Shamayeeta Ray, Jonathan T. Goldstein, Andrew Savinov, Jacob A. Hambalek, Anshika Gupta, Diego A. Taquiri-Diaz, Yaotian Zhang, A. Katherine Hatstat, Angelika Arada, Nam Hyeong Kim, Ethel Tackie-Yarboi, Dylan Boselli, Lee Schnaider, Chang C. Liu, Gene-Wei Li, Denes Hnisz, David M. Sabatini, William F. DeGrado, Jeremy Wohlwend, Gabriele Corso, Regina Barzilay, Tommi Jaakkola
December 21, 2025 by
hgpuRobert Welch, Charles Laughton, Oliver Henrich, Tom Burnley, Daniel Cole, Alan Real, Sarah Harris, James Gebbie-Rayet
Tags: AMD Radeon Instinct MI250X, AMD Radeon Instinct MI300X, ATI, Benchmarking, Biology, Biomolecules, Computational biology, CUDA, HPC, Molecular dynamics, nVidia, nVidia A100, nVidia GH200, nVidia H100, Package, Physics, ROCm, Tesla V100
Hyun Park, Parth Patel, Roland Haas, E. A. Huerta
Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh V. Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, Oscar Hernandez, Jeremy C. Smith, Ada Sedova
Tags: Biology, Biomolecules, Computational biology, CUDA, molecular docking, nVidia, nVidia DGX-2, nVidia GeForce RTX 2080 Ti, OpenCL, supercomputer, Tesla V100
Pilar Cossio, David Rohr, Fabio Baruffa, Markus Rampp, Volker Lindenstruth, Gerhard Hummer
Tags: Bayesian, Biology, Biomolecules, CUDA, Electron microscopy, Heterogeneous systems, Medicine, Microscopy, MPI, nVidia, nVidia GeForce GTX Titan, OpenMP, Package, Tesla K20, Tomography
Mark James Abraham, Teemu Murtola, Roland Schulz, Szilard Pall, Jeremy C. Smith, Berk Hess, Erik Lindahl
Tags: Algorithms, Biomolecules, Chemistry, CUDA, Heterogeneous systems, Molecular simulation, nVidia, nVidia GeForce GTX 980, OpenCL, Package, Tesla K40
Carsten Kutzner, Szilard Pall, Martin Fechner, Ansgar Esztermann, Bert L. de Groot, Helmut Grubmuller
Tags: Benchmarking, Biological Physics, Biomolecules, Computational Physics, Computer science, Molecular dynamics, Molecular simulation, MPI, nVidia, Package, Performance, Tesla K20, Tesla K40
