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