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.
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