The xgboost classification models used for tinyIFD outputs.
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.