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Dataset-Binding_Site_Detection-ProteinShake

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train · 3.27k rows

protein stringlengths 104 9.28k	label stringlengths 154 13.9k	stage stringclasses 3 values
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Description

Binding Site Detection predicts , predict whether a protein residue belongs to a small molecule binding cavity. Binding site residues are those within the binding pocket provided by PDBBind. Default metric is Matthew's Correlation.

Splits

Protein Format: SA sequence (PDB)

The dataset is from ProteinShake Building datasets and benchmarks for deep learning on protein structures. We use the splits based on 70% structure similarity, with the number of training, validation and test set shown below:

Train: 2368
Valid: 442
Test: 464

Label

Classification labels of all residues.

0: The protein residue does not belong to a small molecule binding cavity.

1: The protein residue belongs to a small molecule binding cavity.

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Collection including SaProtHub/Dataset-Binding_Site_Detection-ProteinShake

Binding Site Detection

Collection

This group contains all relative training datasets and model checkpoints trained on these datasets for Binding Site Detection. • 2 items • Updated May 15, 2024