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  1. .gitattributes +1 -0
  2. README.md +30 -0
  3. test/data.mdb +0 -0
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README.md CHANGED
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  ---
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  license: mit
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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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+ Structural Class Prediction is a multi-class classification task to predict the correct structural class of given protein. This task is is built on the SCOP database.
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+
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+ # Splits
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+
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+ **Structure type:** PDB
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+
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+ The dataset is from [**ProteinShake Building datasets and benchmarks for deep learning on protein structures**](https://academic.oup.com/bioinformatics/article/33/21/3387/3931857). We use the splits based on 70% structure similarity, with the number of training, validation and test set shown below:
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+
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+ - Train: 7990
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+ - Valid: 955
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+ - Test: 1005
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+
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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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+
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+ **0:**
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+
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+ - **name:** The PDB ID of the protein
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+ - **chain:** The chain ID of the protein
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+ - **seq:** The structure-aware sequence
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+ - **plddt**: pLDDT values at all positions
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+ - **label:** classification label of the sequence
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+
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+ **1:**
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+
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+ **···**
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+ size 6107136
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