197 citations · 296 across the 24 of their papers we have counts for
3 papers · 1 filter
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…
Deploying Scientific AI Networks at Petaflop Scale on Secure Large Scale HPC Production Systems with Containers
David Brayford, Sofia Vallercorsa
There is an ever-increasing need for computational power to train complex artificial intelligence (AI) & machine learning (ML) models to tackle large scientific problems. High perf…
Deploying AI Frameworks on Secure HPC Systems with Containers
David Brayford, Sofia Vallecorsa, Atanas Atanasov +2
The increasing interest in the usage of Artificial Intelligence techniques (AI) from the research community and industry to tackle "real world" problems, requires High Performance…