Replication Data for: Computational screening for potential drug candidates against SARS-CoV-2 main protease

This dataset is comprised of all files used in the computational experiments: ligand-based and receptor-based virtual screening. The molecule database is included. All files are identified and separated by folders and zipped in one file. The supplementary figures show the 2D interaction maps for all molecules used in docking studies, excluding those that will be embedded in the manuscript.