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10 results on '"Krenek, Jan"'

1. Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach

Author

Palermo, Gianluca, Accordi, Gianmarco, Gadioli, Davide, Vitali, Emanuele, Silvano, Cristina, Guindani, Bruno, Ardagna, Danilo, Beccari, Andrea R., Bonanni, Domenico, Talarico, Carmine, Lunghini, Filippo, Martinovic, Jan, Silva, Paulo, Bohm, Ada, Beranek, Jakub, Krenek, Jan, Jansik, Branislav, Crisci, Luigi, Biagio, Cosenza, Thoman, Peter, Salzmann, Philip, Fahringer, Thomas, Alexander, Leila, Tauriello, Gerardo, Schwede, Torsten, Durairaj, Janani, Emerson, Andrew, Ficarelli, Federico, Wingbermuhle, Sebastian, Lindahl, Eric, Gregori, Daniele, Sana, Emanuele, Coletti, Silvano, and Gschwandtner, Philip

Subjects
Computer Science - Distributed, Parallel, and Cluster Computing
Abstract

Today digital revolution is having a dramatic impact on the pharmaceutical industry and the entire healthcare system. The implementation of machine learning, extreme-scale computer simulations, and big data analytics in the drug design and development process offers an excellent opportunity to lower the risk of investment and reduce the time to the patient. Within the LIGATE project, we aim to integrate, extend, and co-design best-in-class European components to design Computer-Aided Drug Design (CADD) solutions exploiting today's high-end supercomputers and tomorrow's Exascale resources, fostering European competitiveness in the field. The proposed LIGATE solution is a fully integrated workflow that enables to deliver the result of a virtual screening campaign for drug discovery with the highest speed along with the highest accuracy. The full automation of the solution and the possibility to run it on multiple supercomputing centers at once permit to run an extreme scale in silico drug discovery campaign in few days to respond promptly for example to a worldwide pandemic crisis., Comment: Paper Accepted to the 20th ACM International Conference on Computing Frontiers (CF'23)

Published
2023
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2. HEAppE Middleware: From Desktop to HPC

Author

Konvička, Jakub, Svatoň, Václav, Křenek, Jan, Goos, Gerhard, Founding Editor, Hartmanis, Juris, Founding Editor, Bertino, Elisa, Editorial Board Member, Gao, Wen, Editorial Board Member, Steffen, Bernhard, Editorial Board Member, Yung, Moti, Editorial Board Member, Zeinalipour, Demetris, editor, Blanco Heras, Dora, editor, Pallis, George, editor, Herodotou, Herodotos, editor, Trihinas, Demetris, editor, Balouek, Daniel, editor, Diehl, Patrick, editor, Cojean, Terry, editor, Fürlinger, Karl, editor, Kirkeby, Maja Hanne, editor, Nardelli, Matteo, editor, and Di Sanzo, Pierangelo, editor

Published
2024
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4. LEXIS Weather and Climate Large-Scale Pilot

Author

Parodi, Antonio, Danovaro, Emanuele, Hawkes, James, Quintino, Tiago, Lagasio, Martina, Delogu, Fabio, D’Andrea, Mirko, Parodi, Andrea, Sardo, Biagio Massimo, Ajmar, Andrea, Mazzoglio, Paola, Brocheton, Fabien, Ganne, Laurent, García-Hernández, Rubén J., Hachinger, Stephan, Hayek, Mohamad, Terzo, Olivier, Krenek, Jan, Martinovic, Jan, Kacprzyk, Janusz, Series Editor, Pal, Nikhil R., Advisory Editor, Bello Perez, Rafael, Advisory Editor, Corchado, Emilio S., Advisory Editor, Hagras, Hani, Advisory Editor, Kóczy, László T., Advisory Editor, Kreinovich, Vladik, Advisory Editor, Lin, Chin-Teng, Advisory Editor, Lu, Jie, Advisory Editor, Melin, Patricia, Advisory Editor, Nedjah, Nadia, Advisory Editor, Nguyen, Ngoc Thanh, Advisory Editor, Wang, Jun, Advisory Editor, Barolli, Leonard, editor, Poniszewska-Maranda, Aneta, editor, and Enokido, Tomoya, editor

Published
2021
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5. HPC-as-a-Service via HEAppE Platform

Author

Svaton, Vaclav, Martinovic, Jan, Krenek, Jan, Esch, Thomas, Tomancak, Pavel, Kacprzyk, Janusz, Series Editor, Pal, Nikhil R., Advisory Editor, Bello Perez, Rafael, Advisory Editor, Corchado, Emilio S., Advisory Editor, Hagras, Hani, Advisory Editor, Kóczy, László T., Advisory Editor, Kreinovich, Vladik, Advisory Editor, Lin, Chin-Teng, Advisory Editor, Lu, Jie, Advisory Editor, Melin, Patricia, Advisory Editor, Nedjah, Nadia, Advisory Editor, Nguyen, Ngoc Thanh, Advisory Editor, Wang, Jun, Advisory Editor, Barolli, Leonard, editor, Hussain, Farookh Khadeer, editor, and Ikeda, Makoto, editor

Published
2020
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6. Waste Collection Vehicle Routing Problem on HPC Infrastructure

Author

Grakova, Ekaterina, Slaninová, Kateřina, Martinovič, Jan, Křenek, Jan, Hanzelka, Jiří, Svatoň, Václav, Hutchison, David, Series Editor, Kanade, Takeo, Series Editor, Kittler, Josef, Series Editor, Kleinberg, Jon M., Series Editor, Mattern, Friedemann, Series Editor, Mitchell, John C., Series Editor, Naor, Moni, Series Editor, Pandu Rangan, C., Series Editor, Steffen, Bernhard, Series Editor, Terzopoulos, Demetri, Series Editor, Tygar, Doug, Series Editor, Weikum, Gerhard, Series Editor, Saeed, Khalid, editor, and Homenda, Władysław, editor

Published
2018
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7. Betweenness Propagation

Author

Hanzelka, Jiří, Běloch, Michal, Křenek, Jan, Martinovič, Jan, Slaninová, Kateřina, Hutchison, David, Series Editor, Kanade, Takeo, Series Editor, Kittler, Josef, Series Editor, Kleinberg, Jon M., Series Editor, Mattern, Friedemann, Series Editor, Mitchell, John C., Series Editor, Naor, Moni, Series Editor, Pandu Rangan, C., Series Editor, Steffen, Bernhard, Series Editor, Terzopoulos, Demetri, Series Editor, Tygar, Doug, Series Editor, Weikum, Gerhard, Series Editor, Saeed, Khalid, editor, and Homenda, Władysław, editor

Published
2018
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8. LEXIS Weather and Climate Large-Scale Pilot

Author

Parodi, Antonio, primary, Danovaro, Emanuele, additional, Hawkes, James, additional, Quintino, Tiago, additional, Lagasio, Martina, additional, Delogu, Fabio, additional, D’Andrea, Mirko, additional, Parodi, Andrea, additional, Sardo, Biagio Massimo, additional, Ajmar, Andrea, additional, Mazzoglio, Paola, additional, Brocheton, Fabien, additional, Ganne, Laurent, additional, García-Hernández, Rubén J., additional, Hachinger, Stephan, additional, Hayek, Mohamad, additional, Terzo, Olivier, additional, Krenek, Jan, additional, and Martinovic, Jan, additional

Published
2020
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10. Chapter 2 The LEXIS Platform for Distributed Workflow Execution and Data Management

Author

Golasowski, Martin, Martinovič, Jan, Křenek, Jan, Slaninová, Kateřina, Levrier, Marc, Harsh, Piyush, DERQUENNES, Marc, Donnat, Frederic, and Terzo, Olivier

Subjects
Artificial Intelligence, Deep Learning, Machine Learning, Supercomputing, bic Book Industry Communication::U Computing & information technology::UY Computer science, bic Book Industry Communication::T Technology, engineering, agriculture::TH Energy technology & engineering::THR Electrical engineering, bic Book Industry Communication::T Technology, engineering, agriculture::TJ Electronics & communications engineering::TJF Electronics engineering
Abstract

Artificial Intelligence, Deep Learning, Machine Learning, Supercomputing

Published
2022
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