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.
Unable to determine this model's library. Check the
docs
.