Possible Drugs for Combating COVID-19

The base code is a fork of Tinka Vidovic's submission for Sage Health Competition

The main notebook is a colab compatible Juypter notebook used to find possible drugs which can inhibit COVID-19. 10 each from mers and sars CMAP analysis were taken and the duplicates were removed.

This gave us a list of 14 possible drugs

The respective SDF files for these ligands were then docked using PyRX and AutoDock Vina

The SDF files are present in the Docking folder along with docking results