darrenjhsu
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Update README
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README.md
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@@ -6,6 +6,6 @@ The xgboost classification models used for tinyIFD outputs.
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Each folder contains a model with its metadata:
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`rstring.txt`: Residue code string
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`SMILES.txt`: SMILES string
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`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.
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Each folder contains a model with its metadata:
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`rstring.txt`: Residue code string
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`SMILES.txt`: SMILES string
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`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.
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