Results 121 to 130 of about 926 (201)

Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA. [PDF]

J Chem Theory Comput
Storchi L, Bellentani L, Hammond J, Orlandini S, Pacifici L, Antonini N, Belpassi L.   +6 more
europepmc   +1 more source

In-silico screening and in-vitro assay show the antiviral effect of Indomethacin against SARS-CoV-2. [PDF]

Comput Biol Med, 2022
Chakraborty R, Bhattacharje G, Baral J, Manna B, Mullick J, Mathapati BS, Abraham P, J M, Hasija Y, Ghosh A, Das AK.   +10 more
europepmc   +1 more source

A unified longitudinal trajectory dataset for automated vehicle. [PDF]

Sci Data
Zhou H, Ma K, Liang S, Li X, Qu X.
europepmc   +1 more source

3. OpenACC Programming

The Journal of the Institute of Image Information and Television Engineers, 2012
Maruyama, Naoya, Hoshino, Tetsuya
openaire   +2 more sources

Exploring code portability solutions for HEP with a particle tracking test code. [PDF]

Front Big Data
Ather H, Berkman S, Cerati G, Kortelainen MJ, Kwok KHM, Lantz S, Lee S, Norris B, Reid M, Reinsvold Hall A, Riley D, Strelchenko A, Wang C.   +12 more
europepmc   +1 more source

A Review on Parallel Virtual Screening Softwares for High-Performance Computers. [PDF]

Pharmaceuticals (Basel), 2022
Murugan NA, Podobas A, Gadioli D, Vitali E, Palermo G, Markidis S.   +5 more
europepmc   +1 more source

A Perspective on Sustainable Computational Chemistry Software Development and Integration. [PDF]

J Chem Theory Comput, 2023
Di Felice R, Mayes ML, Richard RM, Williams-Young DB, Chan GK, de Jong WA, Govind N, Head-Gordon M, Hermes MR, Kowalski K, Li X, Lischka H, Mueller KT, Mutlu E, Niklasson AMN, Pederson MR, Peng B, Shepard R, Valeev EF, van Schilfgaarde M, Vlaisavljevich B, Windus TL, Xantheas SS, Zhang X, Zimmerman PM.   +24 more
europepmc   +1 more source

Coordinated Meta-Storms enables comparison of million-level microbiomes. [PDF]

Bioinformatics
Wang M, Gao H, Zhang Y, Huang Y, Su X.
europepmc   +1 more source

MassiveFold: unveiling AlphaFold's hidden potential with optimized and parallelized massive sampling. [PDF]

Nat Comput Sci
Raouraoua N, Mirabello C, Véry T, Blanchet C, Wallner B, Lensink MF, Brysbaert G.   +6 more
europepmc   +1 more source

GPU Implementation of a Gas-Phase Chemistry Solver in the CMAQ Chemical Transport Model. [PDF]

ACS EST Air
Quevedo D, Do K, Delic G, Rodríguez-Borbón J, Wong BM, Ivey CE.   +5 more
europepmc   +1 more source