BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

Autor: John, Peter St., Lin, Dejun, Binder, Polina, Greaves, Malcolm, Shah, Vega, John, John St., Lange, Adrian, Hsu, Patrick, Illango, Rajesh, Ramanathan, Arvind, Anandkumar, Anima, Brookes, David H, Busia, Akosua, Mahajan, Abhishaike, Malina, Stephen, Prasad, Neha, Sinai, Sam, Edwards, Lindsay, Gaudelet, Thomas, Regep, Cristian, Steinegger, Martin, Rost, Burkhard, Brace, Alexander, Hippe, Kyle, Naef, Luca, Kamata, Keisuke, Armstrong, George, Boyd, Kevin, Cao, Zhonglin, Chou, Han-Yi, Chu, Simon, Costa, Allan dos Santos, Darabi, Sajad, Dawson, Eric, Didi, Kieran, Fu, Cong, Geiger, Mario, Gill, Michelle, Hsu, Darren, Kaushik, Gagan, Korshunova, Maria, Kothen-Hill, Steven, Lee, Youhan, Liu, Meng, Livne, Micha, McClure, Zachary, Mitchell, Jonathan, Moradzadeh, Alireza, Mosafi, Ohad, Nashed, Youssef, Paliwal, Saee, Peng, Yuxing, Rabhi, Sara, Ramezanghorbani, Farhad, Reidenbach, Danny, Ricketts, Camir, Roland, Brian, Shah, Kushal, Shimko, Tyler, Sirelkhatim, Hassan, Srinivasan, Savitha, Stern, Abraham C, Toczydlowska, Dorota, Veccham, Srimukh Prasad, Venanzi, Niccolò Alberto Elia, Vorontsov, Anton, Wilber, Jared, Wilkinson, Isabel, Wong, Wei Jing, Xue, Eva, Ye, Cory, Yu, Xin, Zhang, Yang, Zhou, Guoqing, Zandstein, Becca, Dallago, Christian, Trentini, Bruno, Kucukbenli, Emine, Rvachov, Timur, Calleja, Eddie, Israeli, Johnny, Clifford, Harry, Haukioja, Risto, Haemel, Nicholas, Tretina, Kyle, Tadimeti, Neha, Costa, Anthony B

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein language mode

Externí odkaz: http://arxiv.org/abs/2411.10548

Employing Artificial Intelligence to Steer Exascale Workflows with Colmena

Autor: Ward, Logan, Pauloski, J. Gregory, Hayot-Sasson, Valerie, Babuji, Yadu, Brace, Alexander, Chard, Ryan, Chard, Kyle, Thakur, Rajeev, Foster, Ian

Computational workflows are a common class of application on supercomputers, yet the loosely coupled and heterogeneous nature of workflows often fails to take full advantage of their capabilities. We created Colmena to leverage the massive parallelis

Externí odkaz: http://arxiv.org/abs/2408.14434

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

Autor: Song, Shuaiwen Leon, Kruft, Bonnie, Zhang, Minjia, Li, Conglong, Chen, Shiyang, Zhang, Chengming, Tanaka, Masahiro, Wu, Xiaoxia, Rasley, Jeff, Awan, Ammar Ahmad, Holmes, Connor, Cai, Martin, Ghanem, Adam, Zhou, Zhongzhu, He, Yuxiong, Luferenko, Pete, Kumar, Divya, Weyn, Jonathan, Zhang, Ruixiong, Klocek, Sylwester, Vragov, Volodymyr, AlQuraishi, Mohammed, Ahdritz, Gustaf, Floristean, Christina, Negri, Cristina, Kotamarthi, Rao, Vishwanath, Venkatram, Ramanathan, Arvind, Foreman, Sam, Hippe, Kyle, Arcomano, Troy, Maulik, Romit, Zvyagin, Maxim, Brace, Alexander, Zhang, Bin, Bohorquez, Cindy Orozco, Clyde, Austin, Kale, Bharat, Perez-Rivera, Danilo, Ma, Heng, Mann, Carla M., Irvin, Michael, Pauloski, J. Gregory, Ward, Logan, Hayot, Valerie, Emani, Murali, Xie, Zhen, Lin, Diangen, Shukla, Maulik, Foster, Ian, Davis, James J., Papka, Michael E., Brettin, Thomas, Balaprakash, Prasanna, Tourassi, Gina, Gounley, John, Hanson, Heidi, Potok, Thomas E, Pasini, Massimiliano Lupo, Evans, Kate, Lu, Dan, Lunga, Dalton, Yin, Junqi, Dash, Sajal, Wang, Feiyi, Shankar, Mallikarjun, Lyngaas, Isaac, Wang, Xiao, Cong, Guojing, Zhang, Pei, Fan, Ming, Liu, Siyan, Hoisie, Adolfy, Yoo, Shinjae, Ren, Yihui, Tang, William, Felker, Kyle, Svyatkovskiy, Alexey, Liu, Hang, Aji, Ashwin, Dalton, Angela, Schulte, Michael, Schulz, Karl, Deng, Yuntian, Nie, Weili, Romero, Josh, Dallago, Christian, Vahdat, Arash, Xiao, Chaowei, Gibbs, Thomas, Anandkumar, Anima, Stevens, Rick

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors fro

Externí odkaz: http://arxiv.org/abs/2310.04610

Field Evaluation of Urea Fertilizers Enhanced by Biological Inhibitors or Dual Coating.

Autor: Brace, Ben E.¹ (AUTHOR) benebrace@gmail.com, Schlossberg, Maxim J.¹ (AUTHOR) mjs38@psu.edu

Publikováno v: Agronomy. Sep2024, Vol. 14 Issue 9, p2118. 12p.

Balanced-risk analysis in the engineering design of complex systems with extreme conditions

Autor: Truong, Van-Dung, Brace, William

Publikováno v: In Fusion Engineering and Design November 2024 208