
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.  

{"license": "mit"}
license:mit region:us
TAGS
#license-mit #region-us 


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:

'URL': Residue code string  
'URL': 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.  

TAGS
#license-mit #region-us 

TAGS
#license-mit #region-us 
