Get our free extension to see links to code for papers anywhere online!

Chrome logo Add to Chrome

Firefox logo Add to Firefox

Picture for Ben Blaiszik

Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening


Jun 30, 2021
Austin Clyde, Thomas Brettin, Alexander Partin, Hyunseung Yoo, Yadu Babuji, Ben Blaiszik, Andre Merzky, Matteo Turilli, Shantenu Jha, Arvind Ramanathan, Rick Stevens


  Access Paper or Ask Questions

AI- and HPC-enabled Lead Generation for SARS-CoV-2: Models and Processes to Extract Druglike Molecules Contained in Natural Language Text


Jan 12, 2021
Zhi Hong, J. Gregory Pauloski, Logan Ward, Kyle Chard, Ben Blaiszik, Ian Foster

* 17 single-column pages, 6 figures, and 6 tables 

  Access Paper or Ask Questions

Confluence of Artificial Intelligence and High Performance Computing for Accelerated, Scalable and Reproducible Gravitational Wave Detection


Dec 15, 2020
E. A. Huerta, Asad Khan, Xiaobo Huang, Minyang Tian, Maksim Levental, Ryan Chard, Wei Wei, Maeve Heflin, Daniel S. Katz, Volodymyr Kindratenko, Dawei Mu, Ben Blaiszik, Ian Foster

* 17 pages, 5 figures 

  Access Paper or Ask Questions

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


Nov 30, 2020
Sutanay Choudhury, Jenna A. Bilbrey, Logan Ward, Sotiris S. Xantheas, Ian Foster, Joseph P. Heindel, Ben Blaiszik, Marcus E. Schwarting

* Machine Learning and the Physical Sciences Workshop at the 34th Conference on Neural Information Processing Systems (NeurIPS) 

  Access Paper or Ask Questions

Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis


Oct 16, 2020
Maksim Levental, Ryan Chard, Joseph A. Libera, Kyle Chard, Aarthi Koripelly, Jakob R. Elias, Marcus Schwarting, Ben Blaiszik, Marius Stan, Santanu Chaudhuri, Ian Foster


  Access Paper or Ask Questions

Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release


May 28, 2020
Yadu Babuji, Ben Blaiszik, Tom Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Ian Foster, Zhi Hong, Shantenu Jha, Zhuozhao Li, Xuefeng Liu, Arvind Ramanathan, Yi Ren, Nicholaus Saint, Marcus Schwarting, Rick Stevens, Hubertus van Dam, Rick Wagner

* 11 pages, 5 figures 

  Access Paper or Ask Questions

Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations


Jun 07, 2019
Logan Ward, Ben Blaiszik, Ian Foster, Rajeev S. Assary, Badri Narayanan, Larry Curtiss


  Access Paper or Ask Questions

DLHub: Model and Data Serving for Science


Nov 27, 2018
Ryan Chard, Zhuozhao Li, Kyle Chard, Logan Ward, Yadu Babuji, Anna Woodard, Steve Tuecke, Ben Blaiszik, Michael J. Franklin, Ian Foster

* 10 pages, 8 figures, conference paper 

  Access Paper or Ask Questions