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README.md
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license: mit
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# Description
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Binding Site Detection predicts , predict whether a protein residue belongs to a small molecule binding cavity. Binding site residues are those within the binding pocket provided by PDBBind. Default metric is Matthew's Correlation.
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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: 2368
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- Valid: 442
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- Test: 464
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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:** The PDB ID of the protein
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- **seq:** The structure-aware sequence
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- **label:** Classification labels of all residues
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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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Binding Site Detection predicts , predict whether a protein residue belongs to a small molecule binding cavity. Binding site residues are those within the binding pocket provided by PDBBind. Default metric is Matthew's Correlation.
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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: 2368
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- Valid: 442
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- Test: 464
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+
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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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+
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**0:**
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+
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- **name:** The PDB ID of the protein
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- **seq:** The structure-aware sequence
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- **label:** Classification labels of all residues
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+
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**1:**
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**···**
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