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---
license: mit
configs:
- config_name: dataset
data_files: "dataset.csv"
---
# 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
**Structure type:** PDB
The dataset is from [**ProteinShake Building datasets and benchmarks for deep learning on protein structures**](https://papers.nips.cc/paper_files/paper/2023/file/b6167294ed3d6fc61e11e1592ce5cb77-Paper-Datasets_and_Benchmarks.pdf). 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. |