Computer Science and Mathematics Div

Search results

• GDB-9-Ex: Quantum chemical prediction of UV/Vis absorption spectra for GDB-9 molecules

  Lupo Pasini, M. (Creator), Yoo, P. (Creator), Mehta, K. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 22 2022

  DOI: 10.13139/OLCF/1890227

  Dataset

• Structural Models and Sequence Alignment Results of the Desulfovibrio vulgaris Proteome

  Davidson, R. B. (Creator), Coletti, M. (Creator), Gao, M. (Creator) & Sedova, A. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jul 12 2023

  DOI: 10.13139/ORNLNCCS/1988139

  Dataset

• Structural Models of the Rhodopseudomonas palustris Proteome

  Davidson, R. B. (Creator), Coletti, M. (Creator), Gao, M. (Creator) & Sedova, A. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jul 12 2023

  DOI: 10.13139/ORNLNCCS/1988165

  Dataset

• HydraGNN_Predictive_GFM_2024 - Ensemble of predictive graph foundation models for ground state atomistic materials modeling

  Lupo Pasini, M. (Creator), Choi, J. Y. (Creator), Mehta, K. (Creator), Zhang, P. (Creator), Rogers, D. (Creator), Bae, J. (Creator), Ibrahim, K. (Creator), Aji, A. (Creator), Schulz, K. W. (Creator), Polo, J. (Creator) & Balaprakash, P. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 1 2024

  DOI: 10.13139/OLCF/2474799

  Dataset

• COVID-19 Knowledge Graph -- Dataset for SMCDC 2021 Challenge 2

  Herrmannova, D. (Creator), Kannan, R. {. (Creator), Lim, S.-H. (Creator) & Potok, T. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 13 2021

  DOI: 10.13139/OLCF/1782714

  Dataset

• EAGLE-I Power Outage Data Information

  Tansakul, V. (Creator), Myers, A. (Creator), Tennille, S. (Creator), Denman, M. (Creator), Hamaker, A. (Creator), Huihui, J. (Creator), Medlen, K. (Creator), Allen, K. (Creator), Redmon, D. (Creator), Chinthavali, S. (Creator), Coletti, M. (Creator), Grant, J. (Creator), Lee, M. (Creator), Maguire, D. (Creator), Newby, S. (Creator), Dunivan Stahl, C. (Creator), Bhaduri, B. (Creator) & Sanyal, J. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 26 2023

  DOI: 10.13139/ORNLNCCS/1975203

  Dataset

• EAGLE-I Power Outage Data 2014 - 2022

  Tansakul, V. (Creator), Myers, A. (Creator), Tennille, S. (Creator), Denman, M. (Creator), Hamaker, A. (Creator), Huihui, J. (Creator), Medlen, K. (Creator), Allen, K. (Creator), Redmon, D. (Creator), Chinthavali, S. (Creator), Coletti, M. (Creator), Grant, J. (Creator), Lee, M. (Creator), Maguire, D. (Creator), Newby, S. (Creator), Dunivan Stahl, C. (Creator), Bhaduri, B. (Creator) & Sanyal, J. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 26 2023

  DOI: 10.13139/ORNLNCCS/1975202

  Dataset

• SARS-CoV2 Docking Dataset

  Rogers, D. (Creator), Glaser, J. (Creator), Agarwal, R. (Creator), Vermaas, J. (Creator), Smith, M. D. (Creator), Parks, J. (Creator), Cooper, C. J. (Creator), Sedova, A. (Creator), Boehm, S. (Creator), Baker, M. (Creator) & Smith, J. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 27 2021

  DOI: 10.13139/OLCF/1783186

  Dataset

• Oak Ridge Spoofing and Interference Test Battery (OAKBAT) - Galileo

  Albright, A. (Creator), Powers, S. (Creator), Bonior, J. (Creator) & Combs, F. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Sep 30 2020

  DOI: 10.13139/ORNLNCCS/1665888

  Dataset

• GPU Lifetimes on Titan Supercomputer: Survival Analysis and Reliability

  Shankar, M. (Creator), Ostrouchov, G. (Creator), Maxwell, D. (Creator), Rogers, J. (Creator), Ashraf, R. A. (Creator) & Engelmann, C. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Sep 2 2020

  DOI: 10.13139/ORNLNCCS/1657202

  Dataset

• OLCF Summit Supercomputer GPU Snapshots During Double-Bit Errors and Normal Operations

  Shin, W. (Creator), Oles, V. (Creator), Schmedding, A. (Creator), Ostrouchov, G. (Creator), Smirni, E. (Creator), Engelmann, C. (Creator) & Wang, F. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Apr 20 2023

  DOI: 10.13139/OLCF/1970187

  Dataset

• TaZr_BCC_SolidSolution_128atoms_VASP6

  Samolyuk, G. (Creator), Eisenbach, M. (Creator), Lupo Pasini, M. (Creator), Choi, J. Y. (Creator), Rogers, D. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Oct 30 2024

  DOI: 10.13139/OLCF/2466324

  Dataset

• SNAP diffraction dataset for 2023 SMC data challenge

  Peterson, P. (Creator), Guthrie, M. (Creator) & Granroth, G. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Apr 14 2023

  DOI: 10.13139/ORNLNCCS/1968472

  Dataset

• NOMAD total scattering dataset for SMC data challenge

  Peterson, P. (Creator), Neuefeind, J. (Creator), Proffen, T. (Creator) & Granroth, G. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Apr 11 2022

  DOI: 10.13139/ORNLNCCS/1861435

  Dataset

• TaV_BCC_SolidSolution_128atoms_VASP6

  Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator), Yin, J. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Dec 29 2023

  DOI: 10.13139/OLCF/2222910

  Dataset

• Structural models and functional annotations for the Sphagnum divinum proteome.

  Davidson, R. B. (Creator), Coletti, M. (Creator), Gao, M. (Creator) & Sedova, A. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), May 31 2023

  DOI: 10.13139/ORNLNCCS/1973885

  Dataset

• ORNL_AISD-Ex: Quantum chemical prediction of UV/Vis absorption spectra for over 10 million organic molecules

  Lupo Pasini, M. (Creator), Mehta, K. (Creator), Yoo, P. (Creator) & Irle, S. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jan 12 2023

  DOI: 10.13139/OLCF/1907919

  Dataset

• 2021 Smoky Mountains Conference Data Challenge Synthetic-to-Real Domain Adaptation for Autonomous Driving Dataset

  Coletti, M. (Creator) & Chipka, J. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Mar 26 2021

  DOI: 10.13139/OLCF/1772569

  Dataset

• Structural Models and Sequence Alignment Results of the Rhodospirillum rubrum Proteome

  Davidson, R. B. (Creator), Coletti, M. (Creator), Gao, M. (Creator) & Sedova, A. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Jul 7 2023

  DOI: 10.13139/ORNLNCCS/1987876

  Dataset

• Oak Ridge Spoofing and Interference Test Battery (OAKBAT) - GPS

  Albright, A. (Creator), Powers, S. (Creator), Bonior, J. (Creator) & Combs, F. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Sep 30 2020

  DOI: 10.13139/ORNLNCCS/1664429

  Dataset

• NbTaV_BCC_SolidSolution_128atoms_VASP6

  Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Nov 30 2023

  DOI: 10.13139/OLCF/2217644

  Dataset

• Particle-in-cell (hPIC) data

  Seleson, P. (Creator), Mustafa, M. (Creator), Curreli, D. (Creator), Hauck, C. (Creator), Stoyanov, M. (Creator) & Bernholdt, D. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Mar 11 2022

  DOI: 10.13139/ORNLNCCS/1846780

  Dataset

• Neutron Imaging dataset for SMC 2021 data challenge

  Peterson, P. (Creator), Granroth, G. (Creator), Bilheux, H. (Creator), Bilheux, J.-C. (Creator), Kulkarni, S. (Creator) & Riedel, R. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Mar 26 2021

  DOI: 10.13139/ORNLNCCS/1772568

  Dataset

• NbTa_BCC_SolidSolution_128atoms_VASP6

  Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator), Yin, J. (Creator) & Yang, Y. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Dec 5 2023

  DOI: 10.13139/OLCF/2222906

  Dataset

• Proteome-scale Structure Prediction Data - Pseudodesulfovibrio mercurii

  Davidson, R. B. (Creator), Coletti, M. (Creator), Gao, M. (Creator), Parks, J. (Creator) & Sedova, A. (Creator), Constellation by Oak Ridge Leadership Computing Facility (OLCF), Apr 11 2022

  DOI: 10.13139/ORNLNCCS/1861307

  Dataset