| 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 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. | |