Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers

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Description scientific article published in 2021
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author: Shunzhou Wan  Dieter Kranzlmüller  Agastya P Bhati  Peter Coveney  F Xia  Sofia Vallecorsa 

Publication date October 12, 2021
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