The objective is to prepare a machine learning model that can be used to propose potential novel effective drugs to fight SARS-CoV-2, the virus responsible for COVID-19.
You are provided with a dataset containing drug molecules (encoded as SMILES) and their binding affinities. The task is to use this dataset to make a regression model for binding affinity prediction. You will be evaluated on Root Mean Squared Error (RMSE).
Note : We use a pre-trained model 'model_300dim.pkl' in this project.