Datasets:
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README.md
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path: datasets/splits/km-random_trainvaltest.csv
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dataset_summary: >-
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dataset_description: >-
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CatPred-DB contains the benchmark datasets introduced alongside the CatPred deep learning framework for predicting in vitro enzyme kinetic parameters. The datasets cover three key kinetic parameters: Kcat, Km, Ki.
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acknowledgements: >-
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### Install HuggingFace Datasets package
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Each subset can be loaded into
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```
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```
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```
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#
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>>> dataset_tag = ""
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>>> dataset_models =
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```
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---
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- split: test
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path: datasets/splits/km-random_trainvaltest.csv
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dataset_summary: >-
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A large-scale enzyme kinetics database containing experimentally measured kinetic parameters paired with enzyme sequences and substrate SMILES. It's designed for training and benchmarking deep learning models that predict enzyme catalytic activity.
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dataset_description: >-
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CatPred-DB contains the benchmark datasets introduced alongside the CatPred deep learning framework for predicting in vitro enzyme kinetic parameters. The datasets cover three key kinetic parameters: Kcat, Km, Ki.
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acknowledgements: >-
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### Install HuggingFace Datasets package
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Each subset can be loaded into python using the HuggingFace [datasets](https://huggingface.co/docs/datasets/index) library. First, from the command line, install the `datasets` library
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```bash
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pip install datasets
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```
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### Load a subset
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```python
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from datasets import load_dataset
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# Options: "kcat", "km", "ki"
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ds = load_dataset("kunikohunter/CatPred-DB", "kcat")
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train = ds["train"]
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val = ds["validation"]
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test = ds["test"]
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```
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