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license: mit
---
# 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

# Data format

We organize all data in LMDB format. The architecture of the databse is like:

**length:** The number of samples

**0:** 

- **name:** The PDB ID of the protein
- **seq:** The structure-aware sequence
- **label:** Classification labels of all residues

**1:**

**···**