The xgboost classification models used for tinyIFD outputs, for SARS-CoV-2 based on docking to 5R84.
Each folder contains a model with its metadata:
rstring.txt: Residue code string SMILES.txt: SMILES string RMSD2.5_rate.txt: How many snapshots are within 2.5 Angstrom to the ground truth in the MD simulations. Ground truth is the crystal structure from the target protein.
