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HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data.

S. Choudhury, J. Bilbrey, L. Ward, S. Xantheas, I. Foster, J. Heindel, B. Blaiszik, and M. Schwarting. CoRR, (2020)

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Aoife Ward

Meenakshi B Loganathan

Paul E Logan

James Ward

Ward Gasque

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Towards a Hybrid Human-Computer Scientific Information Extraction Pipeline.R. Tchoua, K. Chard, D. Audus, L. Ward, J. Lequieu, J. de Pablo, and I. Foster. eScience, page 109-118. IEEE Computer Society, (2017)14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon.K. Jablonka, Q. Ai, A. Al-Feghali, S. Badhwar, J. Bocarsly, A. Bran, S. Bringuier, L. Brinson, K. Choudhary, D. Circi and 43 other author(s). CoRR, (2023)RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms.A. Alsaadi, L. Ward, A. Merzky, K. Chard, I. Foster, S. Jha, and M. Turilli. WORKS@SC, page 27-34. IEEE, (2022)Not All Tasks Are Created Equal: Adaptive Resource Allocation for Heterogeneous Tasks in Dynamic Workflows.T. Phung, L. Ward, K. Chard, and D. Thain. WORKS, page 17-24. IEEE, (2021)Co-design Center for Exascale Machine Learning Technologies (ExaLearn).F. Alexander, J. Ang, J. Bilbrey, J. Balewski, T. Casey, R. Chard, J. Choi, S. Choudhury, B. Debusschere, A. DeGennaro and 37 other author(s). Int. J. High Perform. Comput. Appl., 35 (6): 598-616 (2021)DLHub: Simplifying publication, discovery, and use of machine learning models in science.Z. Li, R. Chard, L. Ward, K. Chard, T. Skluzacek, Y. Babuji, A. Woodard, S. Tuecke, B. Blaiszik, M. Franklin and 1 other author(s). J. Parallel Distributed Comput., (2021)Proxima: accelerating the integration of machine learning in atomistic simulations.Y. Zamora, L. Ward, G. Sivaraman, I. Foster, and H. Hoffmann. ICS, page 242-253. ACM, (2021)Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources.L. Ward, J. Pauloski, V. Hayot-Sasson, R. Chard, Y. Babuji, G. Sivaraman, S. Choudhury, K. Chard, R. Thakur, and I. Foster. IPDPS Workshops, page 32-41. IEEE, (2023)Emin: A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability.A. Lee, S. Elliott, H. Harb, L. Ward, I. Foster, L. Curtiss, and R. Assary. J. Chem. Inf. Model., 64 (4): 1277-1289 (February 2024)HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data.S. Choudhury, J. Bilbrey, L. Ward, S. Xantheas, I. Foster, J. Heindel, B. Blaiszik, and M. Schwarting. CoRR, (2020)

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Disambiguation of "Ward, Logan T."

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HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data.

Please choose a person to relate this publication to

Aoife Ward

Meenakshi B Loganathan

Paul E Logan

James Ward

Ward Gasque

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Ward, Logan T."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data.

Please choose a person to relate this publication to

Aoife Ward

Meenakshi B Loganathan

Paul E Logan

James Ward

Ward Gasque

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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history of this post
URL
DOI
BibTeX
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APA
Chicago
DIN 1505
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HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data.