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GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics.

M. Zvyagin, A. Brace, K. Hippe, Y. Deng, B. Zhang, C. Bohorquez, A. Clyde, B. Kale, D. Perez-Rivera, H. Ma, C. Mann, M. Irvin, D. Ozgulbas, N. Vassilieva, J. Pauloski, L. Ward, V. Hayot-Sasson, M. Emani, S. Foreman, Z. Xie, D. Lin, M. Shukla, W. Nie, J. Romero, C. Dallago, A. Vahdat, C. Xiao, T. Gibbs, I. Foster, J. Davis, M. Papka, T. Brettin, R. Stevens, A. Anandkumar, V. Vishwanath, и A. Ramanathan. Int. J. High Perform. Comput. Appl., 37 (6): 683-705 (ноября 2023)

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Chris Bracegirdle

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Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action.A. Trifan, D. Gorgun, M. Salim, Z. Li, A. Brace, M. Zvyagin, H. Ma, A. Clyde, D. Clark, D. Hardy и 24 other автор(ы). Int. J. High Perform. Comput. Appl., 36 (5-6): 603-623 (2022)IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads.A. Saadi, D. Alfè, Y. Babuji, A. Bhati, B. Blaiszik, A. Brace, T. Brettin, K. Chard, R. Chard, A. Clyde и 26 other автор(ы). ICPP, стр. 40:1-40:12. ACM, (2021)AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.L. Casalino, A. Dommer, Z. Gaieb, E. Barros, T. Sztain, S. Ahn, A. Trifan, A. Brace, A. Bogetti, A. Clyde и 19 other автор(ы). Int. J. High Perform. Comput. Appl., (2021)Stream-AI-MD: streaming AI-driven adaptive molecular simulations for heterogeneous computing platforms.A. Brace, M. Salim, V. Subbiah, H. Ma, M. Emani, A. Trifan, A. Clyde, C. Adams, T. Uram, H. Yoo и 4 other автор(ы). PASC, стр. 6:1-6:13. ACM, (2021)High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.A. Clyde, S. Galanie, D. Kneller, H. Ma, Y. Babuji, B. Blaiszik, A. Brace, T. Brettin, K. Chard, R. Chard и 20 other автор(ы). J. Chem. Inf. Model., 62 (1): 116-128 (2022)DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies.S. Song, B. Kruft, M. Zhang, C. Li, S. Chen, C. Zhang, M. Tanaka, X. Wu, J. Rasley, A. Awan и 82 other автор(ы). CoRR, (2023)Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles.A. Brace, H. Lee, H. Ma, A. Trifan, M. Turilli, I. Yakushin, T. Munson, I. Foster, S. Jha, и A. Ramanathan. CoRR, (2021)Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line / Microscope to Supercomputers.A. Brace, R. Vescovi, R. Chard, N. Saint, A. Ramanathan, N. Zaluzec, и I. Foster. SC Workshops, стр. 2140-2146. ACM, (2023)#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.A. Dommer, L. Casalino, F. Kearns, M. Rosenfeld, N. Wauer, S. Ahn, J. Russo, A. Oliveira, C. Morris, A. Bogetti и 42 other автор(ы). Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics.M. Zvyagin, A. Brace, K. Hippe, Y. Deng, B. Zhang, C. Bohorquez, A. Clyde, B. Kale, D. Perez-Rivera, H. Ma и 26 other автор(ы). Int. J. High Perform. Comput. Appl., 37 (6): 683-705 (ноября 2023)

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Chris Bracegirdle

Alexander

Alexander Stadler

Alexander Auch

Alexander Blecken

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