metadata
license: mit
Description
Structure Similarity Prediction predicts the (aligned) Local Distance Difference Test (LDDT) of the structures given an unaligned pair of proteins. Target values are computed after alignment with TM-align for all pairs of 1000 randomly sampled single-chain proteins.
Splits
Structure type: 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: 300699
- Valid: 4559
- Test: 4850
Data format
We organize all data in LMDB format. The architecture of the databse is like:
length: The number of samples
0:
- name_1: The PDB ID of the protein 1
- name_2: The PDB ID of the protein 2
- chain_1: The chain ID of the protein 1
- chain_2: The chain ID of the protein 2
- seq_1: The structure-aware sequence 1
- seq_2: The structure-aware sequence 2
- label: Similarity value of the pair of proteins
1:
···