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license: mit
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# Description
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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.
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# Splits
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**Structure type:** PDB
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The dataset is from [**ProteinShake Building datasets and benchmarks for deep learning on protein structures**](https://
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- Train: 300699
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- Valid: 4559
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- Test: 4850
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# Data format
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We organize all data in LMDB format. The architecture of the databse is like:
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**length:** The number of samples
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**0:**
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- **name_1:** The PDB ID of the protein 1
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- **name_2:** The PDB ID of the protein 2
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- **chain_1:** The chain ID of the protein 1
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- **chain_2:** The chain ID of the protein 2
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- **seq_1:** The structure-aware sequence 1
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- **seq_2:** The structure-aware sequence 2
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- **label:** Similarity value of the pair of proteins
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**1:**
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**···**
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---
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license: mit
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---
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# Description
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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.
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+
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# Splits
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**Structure type:** PDB
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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:
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- Train: 300699
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- Valid: 4559
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- Test: 4850
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# Data format
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+
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We organize all data in LMDB format. The architecture of the databse is like:
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+
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**length:** The number of samples
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**0:**
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- **name_1:** The PDB ID of the protein 1
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- **name_2:** The PDB ID of the protein 2
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- **chain_1:** The chain ID of the protein 1
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- **chain_2:** The chain ID of the protein 2
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- **seq_1:** The structure-aware sequence 1
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- **seq_2:** The structure-aware sequence 2
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- **label:** Similarity value of the pair of proteins
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**1:**
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**···**
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