| | --- |
| | dataset_info: |
| | features: |
| | - name: ID |
| | dtype: string |
| | - name: Sequence |
| | dtype: string |
| | - name: Label |
| | dtype: int64 |
| | - name: Tool |
| | dtype: string |
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| | splits: |
| | - name: train |
| | num_bytes: 128590756 |
| | num_examples: 15000 |
| | download_size: 151947227 |
| | dataset_size: 128590756 |
| | --- |
| | # Dataset of knotted and unknotted proteins created by diffusion models |
| |
|
| | This dataset supports **Unveiling the Entangled Landscape of Artificial Knotted Proteins** ICLR poster and related [GitHub repo](https://github.com/ML-Bioinfo-CEITEC/ArtificialKnottedProteinsPaper). |
| |
|
| | The dataset contains a mixture of proteins generated by RFdiffusion+pMPNN, EvoDiff and a fraction of real proteins. For each of the three, the dataset contains 1k of knotted proteins and 4k of unknotted proteins. |
| |
|
| | Each protein has: |
| | - sequence |
| | - label with either 0 (unknotted protein) or 1 (knotted one) |
| | - tool meaning one of the three approaches of getting the protein (RFdiffusion+pMPNN / EvoDiff / real protein) |
| | - 1024 numbers being ProtBERT-BFD (protein language model) embeddings, which were used further in our paper |
| |
|
| | Predicted structures of the artificially generated proteins can be found at https://drive.google.com/file/d/1wWqxLsFyny5ZL1BZ9asMiQ_SmpNjusUZ/view?usp=sharing |
| | |
| | |
