Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: EXSCALATE: An extreme-scale in-silico virtual screening platform to
  evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers   The social and economic impact of the COVID-19 pandemic demands the reduction
of the time required to find a therapeutic cure. In the contest of urgent
computing, we re-designed the Exscalate molecular docking platform to benefit
from heterogeneous computation nodes and to avoid scaling issues. We deployed
the Exscalate platform on two top European supercomputers (CINECA-Marconi100
and ENI-HPC5), with a combined computational power of 81 PFLOPS, to evaluate
the interaction between 70 billions of small molecules and 15 binding-sites of
12 viral proteins of Sars-Cov2. The experiment lasted 60 hours and overall it
performed a trillion of evaluations.

30
The categories of this paper are: q-alg
11
The categories of this paper are: hep-lat
37
The categories of this paper are: supr-con
19
The categories of this paper are: eess
4
The categories of this paper are: cond-mat
3
The categories of this paper are: physics
23
The categories of this paper are: solv-int
16
The categories of this paper are: stat
10
The categories of this paper are: q-bio
12
The categories of this paper are: nucl-th
34
The categories of this paper are: chem-ph
33
The categories of this paper are: plasm-ph
9
The categories of this paper are: nlin
18
The categories of this paper are: econ
14
The categories of this paper are: math-ph
25
The categories of this paper are: patt-sol