GitHub - ding-oh/PUR

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Name		Name	Last commit message	Last commit date
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.ipynb_checkpoints		.ipynb_checkpoints
bench2		bench2
coach420		coach420
data		data
.data_prep.swp		.data_prep.swp
README		README
bench2.tsv		bench2.tsv
coach420.tsv		coach420.tsv
data.tsv		data.tsv
data.tsv~		data.tsv~
data_preparation.ipynb		data_preparation.ipynb

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This project utilized the scPDB clean dataset from PUResnet.

We prepared the dataset and test set in a residue-wise manner, and using the preprocessed data, we calculated the DCC of the dataset using the DCC validation method. We created the binding site binary targeting residues contained within 10Å from the center coordinates of the ligand.

We can check the degree of DCC value when using the actual value, not the predicted one.

scpdb_subset.zip (https://github.com/jivankandel/PUResNet/blob/main/scpdb_subset.zip)

coach.zip (https://github.com/jivankandel/PUResNet/blob/main/coach.zip)
BU48.zip (https://github.com/jivankandel/PUResNet/blob/main/BU48.zip)