AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
Clyde, Austin, Liu, Xuefeng, Brettin, Thomas, Yoo, Hyunseung, Partin, Alexander, Babuji, Yadu, Blaiszik, Ben, Mohd-Yusof, Jamaludin, Merzky, Andre, Turilli, Matteo, Jha, Shantenu, Ramanathan, Arvind, Stevens, Rick
Published in Scientific reports (06.02.2023)
Published in Scientific reports (06.02.2023)
Get full text
Journal Article
Real-time HEP analysis with funcX, a high-performance platform for function as a service
Woodard, Anna Elizabeth, Trisovic, Ana, Li, Zhuozhao, Babuji, Yadu, Chard, Ryan, Skluzacek, Tyler, Blaiszik, Ben, Katz, Daniel S., Foster, Ian, Chard, Kyle
Published in EPJ Web of Conferences (2020)
Published in EPJ Web of Conferences (2020)
Get full text
Journal Article
Conference Proceeding
The globus compute dataset: An open function-as-a-service dataset from the edge to the cloud
Bauer, André, Pan, Haochen, Chard, Ryan, Babuji, Yadu, Bryan, Josh, Tiwari, Devesh, Foster, Ian, Chard, Kyle
Published in Future generation computer systems (01.04.2024)
Published in Future generation computer systems (01.04.2024)
Get full text
Journal Article
High-Throughput Virtual Screening and Validation of a SARS-CoV‑2 Main Protease Noncovalent Inhibitor
Clyde, Austin, Galanie, Stephanie, Kneller, Daniel W, Ma, Heng, Babuji, Yadu, Blaiszik, Ben, Brace, Alexander, Brettin, Thomas, Chard, Kyle, Chard, Ryan, Coates, Leighton, Foster, Ian, Hauner, Darin, Kertesz, Vilmos, Kumar, Neeraj, Lee, Hyungro, Li, Zhuozhao, Merzky, Andre, Schmidt, Jurgen G, Tan, Li, Titov, Mikhail, Trifan, Anda, Turilli, Matteo, Van Dam, Hubertus, Chennubhotla, Srinivas C, Jha, Shantenu, Kovalevsky, Andrey, Ramanathan, Arvind, Head, Martha S, Stevens, Rick
Published in Journal of chemical information and modeling (10.01.2022)
Published in Journal of chemical information and modeling (10.01.2022)
Get full text
Journal Article
DLHub: Simplifying publication, discovery, and use of machine learning models in science
Li, Zhuozhao, Chard, Ryan, Ward, Logan, Chard, Kyle, Skluzacek, Tyler J., Babuji, Yadu, Woodard, Anna, Tuecke, Steven, Blaiszik, Ben, Franklin, Michael J., Foster, Ian
Published in Journal of parallel and distributed computing (01.01.2021)
Published in Journal of parallel and distributed computing (01.01.2021)
Get full text
Journal Article
func X: Federated Function as a Service for Science
Li, Zhuozhao, Chard, Ryan, Babuji, Yadu, Galewsky, Ben, Skluzacek, Tyler, Nagaitsev, Kirill, Woodard, Anna, Blaiszik, Ben, Bryan, Josh, Katz, Daniel S., Foster, Ian, Chard, Kyle
Published in IEEE transactions on parallel and distributed systems (01.12.2022)
Published in IEEE transactions on parallel and distributed systems (01.12.2022)
Get full text
Journal Article
The LSST DESC DC2 Simulated Sky Survey
Abolfathi, Bela, Alonso, David, Armstrong, Robert, Aubourg, Éric, Awan, Humna, Babuji, Yadu N., Bauer, Franz Erik, Bean, Rachel, Beckett, George, Biswas, Rahul, Bogart, Joanne R., Boutigny, Dominique, Chard, Kyle, Chiang, James, Claver, Chuck F., Cohen-Tanugi, Johann, Combet, Céline, Connolly, Andrew J., Daniel, Scott F., Digel, Seth W., Drlica-Wagner, Alex, Dubois, Richard, Gangler, Emmanuel, Gawiser, Eric, Glanzman, Thomas, Gris, Phillipe, Habib, Salman, Hearin, Andrew P., Heitmann, Katrin, Hernandez, Fabio, Hložek, Renée, Hollowed, Joseph, Ishak, Mustapha, Ivezić, Željko, Jarvis, Mike, Jha, Saurabh W., Kahn, Steven M., Kalmbach, J. Bryce, Kelly, Heather M., Kovacs, Eve, Korytov, Danila, Krughoff, K. Simon, Lage, Craig S., Lanusse, François, Larsen, Patricia, Le Guillou, Laurent, Li, Nan, Longley, Emily Phillips, Lupton, Robert H., Mandelbaum, Rachel, Mao, Yao-Yuan, Marshall, Phil, Meyers, Joshua E., Moniez, Marc, Morrison, Christopher B., Nomerotski, Andrei, O’Connor, Paul, Park, HyeYun, Park, Ji Won, Peloton, Julien, Perrefort, Daniel, Perry, James, Plaszczynski, Stéphane, Pope, Adrian, Rasmussen, Andrew, Reil, Kevin, Roodman, Aaron J., Rykoff, Eli S., Sánchez, F. Javier, Schmidt, Samuel J., Scolnic, Daniel, Stubbs, Christopher W., Tyson, J. Anthony, Uram, Thomas D., Villarreal, Antonio, Walter, Christopher W., Wiesner, Matthew P., Wood-Vasey, W. Michael, Zuntz, Joe
Published in The Astrophysical journal. Supplement series (01.03.2021)
Published in The Astrophysical journal. Supplement series (01.03.2021)
Get full text
Journal Article
[Formula Omitted] unc X: Federated Function as a Service for Science
Li, Zhuozhao, Chard, Ryan, Babuji, Yadu, Galewsky, Ben, Skluzacek, Tyler J, Nagaitsev, Kirill, Woodard, Anna, Blaiszik, Ben, Bryan, Josh, Katz, Daniel S, Foster, Ian, Chard, Kyle
Published in IEEE transactions on parallel and distributed systems (01.01.2022)
Published in IEEE transactions on parallel and distributed systems (01.01.2022)
Get full text
Journal Article
Evaluating Distributed Execution of Workloads
Turilli, Matteo, Yadu Nand Babuji, Merzky, Andre, Ming Tai Ha, Wilde, Michael, Katz, Daniel S, Jha, Shantenu
Published in arXiv.org (02.11.2021)
Published in arXiv.org (02.11.2021)
Get full text
Paper
Journal Article
DLHub: Simplifying publication, discovery, and use of machine learning models in science
Li, Zhuozhao, Chard, Ryan, Ward, Logan, Chard, Kyle, Skluzacek, Tyler J., Babuji, Yadu, Woodard, Anna, Tuecke, Steven, Blaiszik, Ben, Franklin, Michael J., Foster, Ian
Published in Journal of parallel and distributed computing (27.08.2020)
Get full text
Published in Journal of parallel and distributed computing (27.08.2020)
Journal Article
DLHub: Model and Data Serving for Science
Chard, Ryan, Li, Zhuozhao, Chard, Kyle, Ward, Logan, Babuji, Yadu, Woodard, Anna, Tuecke, Steven, Blaiszik, Ben, Franklin, Michael J., Foster, Ian
Published in 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (01.05.2019)
Published in 2019 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (01.05.2019)
Get full text
Conference Proceeding
Coding the Computing Continuum: Fluid Function Execution in Heterogeneous Computing Environments
Kumar, Rohan, Baughman, Matt, Chard, Ryan, Li, Zhuozhao, Babuji, Yadu, Foster, Ian, Chard, Kyle
Published in 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (01.06.2021)
Published in 2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (01.06.2021)
Get full text
Conference Proceeding
UniFaaS: Programming across Distributed Cyberinfrastructure with Federated Function Serving
Li, Yifei, Chard, Ryan, Babuji, Yadu, Chard, Kyle, Foster, Ian, Li, Zhuozhao
Published in 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (27.05.2024)
Published in 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) (27.05.2024)
Get full text
Conference Proceeding
UniFaaS: Programming across Distributed Cyberinfrastructure with Federated Function Serving
Li, Yifei, Chard, Ryan, Babuji, Yadu, Chard, Kyle, Foster, Ian, Li, Zhuozhao
Published in arXiv.org (28.03.2024)
Published in arXiv.org (28.03.2024)
Get full text
Paper
Journal Article
Employing Artificial Intelligence to Steer Exascale Workflows with Colmena
Ward, Logan, Pauloski, J. Gregory, Hayot-Sasson, Valerie, Babuji, Yadu, Brace, Alexander, Chard, Ryan, Chard, Kyle, Thakur, Rajeev, Foster, Ian
Year of Publication 26.08.2024
Year of Publication 26.08.2024
Get full text
Journal Article
GreenFaaS: Maximizing Energy Efficiency of HPC Workloads with FaaS
Kamatar, Alok, Hayot-Sasson, Valerie, Babuji, Yadu, Bauer, Andre, Rattihalli, Gourav, Hogade, Ninad, Milojicic, Dejan, Chard, Kyle, Foster, Ian
Published in arXiv.org (25.06.2024)
Published in arXiv.org (25.06.2024)
Get full text
Paper
Journal Article
Enhancing Energy Efficiency with Multi-Site Scheduling Strategies
Kamatar, Alok, Hayot-Sasson, Valerie, Babuji, Yadu, Bauer, Andre, Rattihalli, Gourav, Hogade, Ninad, Milojicic, Dejan, Chard, Kyle, Foster, Ian
Published in 2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (27.05.2024)
Published in 2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (27.05.2024)
Get full text
Conference Proceeding
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
Ward, Logan, Sivaraman, Ganesh, Pauloski, J. Gregory, Babuji, Yadu, Chard, Ryan, Dandu, Naveen, Redfern, Paul C., Assary, Rajeev S., Chard, Kyle, Curtiss, Larry A., Thakur, Rajeev, Foster, Ian
Published in 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC) (01.11.2021)
Published in 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC) (01.11.2021)
Get full text
Conference Proceeding
The Changing Role of RSEs over the Lifetime of Parsl
Katz, Daniel S, Clifford, Ben, Babuji, Yadu, Kevin Hunter Kesling, Woodard, Anna, Chard, Kyle
Published in arXiv.org (21.07.2023)
Published in arXiv.org (21.07.2023)
Get full text
Paper
Journal Article
Developing Distributed High-performance Computing Capabilities of an Open Science Platform for Robust Epidemic Analysis
Collier, Nicholson, Wozniak, Justin M., Stevens, Abby, Babuji, Yadu, Binois, Mickael, Fadikar, Arindam, Wurth, Alexandra, Chard, Kyle, Ozik, Jonathan
Published in 2023 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (01.05.2023)
Published in 2023 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) (01.05.2023)
Get full text
Conference Proceeding