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--- |
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dataset_info: |
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features: |
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- name: ID |
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dtype: string |
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- name: latestVersion |
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dtype: int64 |
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- name: globalMetricValue |
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dtype: float64 |
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- name: uniprotStart |
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dtype: int64 |
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- name: uniprotEnd |
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dtype: int64 |
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- name: uniprotSequence |
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dtype: string |
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- name: Length |
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dtype: float64 |
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- name: Domain_architecture |
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dtype: string |
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- name: InterPro |
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dtype: string |
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- name: Max_Topology |
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dtype: string |
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- name: Max Freq |
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dtype: float64 |
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- name: Knot Core |
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dtype: string |
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- name: label |
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dtype: int64 |
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- name: FamilyName |
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dtype: string |
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splits: |
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- name: train |
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num_bytes: 88403588.17607178 |
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num_examples: 157644 |
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- name: test |
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num_bytes: 22101457.823928222 |
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num_examples: 39412 |
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download_size: 87654765 |
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dataset_size: 110505046.0 |
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language: protein |
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--- |
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# Dataset of knotted and unknotted proteins from AlphaFold |
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This dataset was created based on the whole [UniProt database](https://www.uniprot.org/) from where protein sequences were obtained, their 3D structure computed with [AlphaFold](https://alphafold.ebi.ac.uk/) |
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and their topology (knot vs. unknot) determined with [Topoly](https://topoly.cent.uw.edu.pl/index.html). The obtained proteins were further processed by clustering with CD-HIT |
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and downsampling to ensure balanced sequence length distribution between knotted and unknotted samples. |
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The final dataset contains 98528 knotted proteins and the same amount of unknotted ones. It's split into train set with 157644 (80%) samples and test datasets with 39412 (20%) samples. |
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