SaProtHub/Dataset-Binding_Site_Detection-ProteinShake
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… See the full description on the dataset page: https://huggingface.co/datasets/SaProtHub/Dataset-Binding_Site_Detection-ProteinShake.
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.