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- license: mit
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+ ---
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+ license: mit
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+ ---
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+ # Description
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+ Thermostability prediction is a regression task where each input protein *x* is mapped to a label *y* ∈ *R*, corresponding to the thermostability of *x*.
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+ # Splits
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+ **Structure type:** AF2
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+ The dataset is from [**FLIP: Benchmark tasks in fitness landscape inferencefor proteins**](https://www.biorxiv.org/content/10.1101/2021.11.09.467890v2). We employ all proteins from the“Human-cell”splits (proteins that lack AF2 structures are removed), and split them based on 70% structure similarity (see [ProteinShake](https://github.com/BorgwardtLab/proteinshake/tree/main)), with the number of training, validation and test set shown below:
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+ - Train: 5310
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+ - Valid: 706
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+ - Test: 706
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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 UniProt 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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+ - **fitness:** fitness label of the sequence
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+ **1:**
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+ **···**
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