---
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.