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cs.DC2021
Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers
Agastya P. Bhati, Shunzhou Wan, Dario Alfè +26
The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottle…
cs.DC2017★ 5 cited
Distributed Kernel K-Means for Large Scale Clustering
Marco Jacopo Ferrarotti, Sergio Decherchi, Walter Rocchia
Clustering samples according to an effective metric and/or vector space representation is a challenging unsupervised learning task with a wide spectrum of applications. Among sever…