competition
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 and mers_results.csv are results of drugs that could inhibit (negative connectivity score) and mimic (positive connectivity score) coronavirus infection
HCoV_EMC2012_24Hour_23631916_GSE45042.csv and icSARS_Cov_Day7_None_GSE50000.csv are data used for main CMap analysis