| 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. | |
| **Protein Format:** SA sequence(PDB) | |
| # Splits | |
| 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: 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. | |