metadata
license: mit
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 stringSMILES.txt: SMILES stringRMSD2.5_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.