Datasets:
Update README.md
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README.md
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path: data/valid-*
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- split: test
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path: data/test-*
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---
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path: data/valid-*
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- split: test
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path: data/test-*
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license: apache-2.0
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task_categories:
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- token-classification
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tags:
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- biology
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- chemistry
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size_categories:
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- 1K<n<10K
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---
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# Dataset Card for Contact Prediction Dataset
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### Dataset Summary
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Contact map prediction aims to determine whether two residues, $i$ and $j$, are in contact or not, based on their distance with a certain threshold ($<$8 Angstrom). This task is an important part of the early Alphafold version for structural prediction.
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## Dataset Structure
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### Data Instances
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For each instance, there is a string of the protein sequences, a sequence for the contact labels. Each of the sub-labels "[2, 3]" indicates the 3rd residue are in contact with the 4th residue (start from index 0). See the [Contact map prediction dataset viewer](https://huggingface.co/datasets/Bo1015/contact_prediction_binary/viewer/default/test) to explore more examples.
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```
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{'seq':'QNLLKNLAASLGRKPFVADKQGVYRLTIDKHLVMLAPHGSELVLRTPIDAPMLREGNNVNVTLLRSLMQQALAWAKRYPQTLVLDDCGQLVLEARLRLQELDTHGLQEVINKQLALLEHLIPQLTP'
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'label': [ [ 0, 0 ], [ 0, 1 ], [ 1, 1 ], [ 1, 2 ], [ 1, 3 ], [ 1, 101 ], [ 2, 2 ], [ 2, 3 ], [ 2, 4 ], [ 3, 3 ], [ 3, 4 ], [ 3, 5 ], [ 3, 99 ], [ 3, 100 ], [ 3, 101 ], [ 4, 4 ], [ 4, 5 ], [ 4, 53 ], ...]}
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```
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The average for the `seq` and the `label` are provided below:
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| Feature | Mean Count |
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| ---------- | ---------------- |
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| seq | 249 |
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| label | 1,500 |
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### Data Fields
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- `seq`: a string containing the protein sequence
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- `label`: a string containing the contact label of each residue pair.
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### Data Splits
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The contact map prediction dataset has 3 splits: _train_, _validation_, and _test_. Below are the statistics of the dataset.
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| Dataset Split | Number of Instances in Split |
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| ------------- | ------------------------------------------- |
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| Train | 12,041 |
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| Validation | 1,505 |
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| Test | 1,505 |
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### Source Data
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#### Initial Data Collection and Normalization
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The [trRosetta dataset](https://www.pnas.org/doi/10.1073/pnas.1914677117) is employed as the initilized dataset.
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### Licensing Information
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The dataset is released under the [Apache-2.0 License](http://www.apache.org/licenses/LICENSE-2.0).
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### Citation
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If you find our work useful, please consider citing the following paper:
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```
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@misc{chen2024xtrimopglm,
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title={xTrimoPGLM: unified 100B-scale pre-trained transformer for deciphering the language of protein},
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author={Chen, Bo and Cheng, Xingyi and Li, Pan and Geng, Yangli-ao and Gong, Jing and Li, Shen and Bei, Zhilei and Tan, Xu and Wang, Boyan and Zeng, Xin and others},
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year={2024},
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eprint={2401.06199},
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archivePrefix={arXiv},
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primaryClass={cs.CL},
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note={arXiv preprint arXiv:2401.06199}
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}
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```
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