File size: 1,211 Bytes
6972977 |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 |
---
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**](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
# 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:**
**···**
|