covid_2019_competition_results.ipynb is main document with results were all the method is described
6lu7cov.pdb is pdb structure of coronavirus protease without small molecule or drug that was bind to this protease
ChEBI_39867 (1).sdf is sdf file of valproic acid used for Pyrx docking (Vina search space set to maximum)
valproic_acid_binding_energy.sdf and valproic_acid_inding_energy.csv are results of binding affinity energy between coronavirus main protease and valproic acid
sars_results.csv is csv file of results of drugs that could inhibit (negative connectivity score) and mimic (positive connectivity score) coronavirus infection
icSARS_Cov_Day7_None_GSE50000.csv is the data used for main CMap analysis