This Github repository is part of the antiviral competition hosted on Polaris consisting of three sub challenges.
The protocol for the first intermediate submission can be found here: 1st intermediate submission
The protocol for the second intermediate submission can be found here: 2nd intermediate submission
Fingerprint-Based Machine Learning for SARS-CoV-2 and MERS-CoV Mpro Inhibition: Highlighting the Potential of Bayesian Neural Networks (Manuscript Files)
The training and evaluation scripts used in the manuscript 'Fingerprint-Based Machine Learning for SARS-CoV-2 and MERS-CoV Mpro Inhibition: Highlighting the Potential of Bayesian Neural Networks', can be found in the 'manuscript' folder. Detailed usage instructions can be found in the respective README files (BNN).