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license: mit
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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.