license: mit
configs:
- config_name: dataset
data_files: dataset.csv
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
Label
The label means 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. This value ranges from 0 to 1.