Data Science and Learning Division, Argonne National Laboratory, Lemont, IL 60439, USA; Computational Sciences Initiative, Brookhaven National Laboratory, Upton, New York 11973, USA
Surrogate models;virtual screening;drug discovery;SARS-CoV-2
Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening