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Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers


Mar 04, 2021
Agastya P. Bhati, Shunzhou Wan, Dario Alfè, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, Andre Merzky, Matteo Turilli, Shantenu Jha, Roger R. Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Dieter Kranzlmüller, Gerald Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick Stevens, Peter V. Coveney

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Distributed Kernel K-Means for Large Scale Clustering


Oct 09, 2017
Marco Jacopo Ferrarotti, Sergio Decherchi, Walter Rocchia

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* 3rd International Conference on Artificial Intelligence and Soft Computing, Computer Science & Information Technology, AIRCC, Vol 7, Number 10, August 2017 
* Conference paper 

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