Datasets:
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README.md
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This dataset is intended for training, evaluating, and benchmarking machine learning models that predict enzyme kinetic parameters from protein sequences or structural features.
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### Downstream Use
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The dataset can be used to
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### Out-of-Scope Use
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This dataset reflects in vitro measurements and may not generalize to in vivo conditions. It should not be used as a sole basis for clinical or industrial enzyme selection without additional experimental validation.
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- datasets/ – CSV files for *k*cat, *K*m, and *K*i with train/test splits
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- scripts/ – Preprocessing and utility scripts
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##
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Users (both direct and downstream) should be made aware of the risks, biases and limitations of the model. More information needed for further recommendations.
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## How to Get Started with the Model
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Use the code below to get started with the model.
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[More Information Needed]
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## Training Details
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### Training Data
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<!-- This should link to a Dataset Card, perhaps with a short stub of information on what the training data is all about as well as documentation related to data pre-processing or additional filtering. -->
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[More Information Needed]
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### Training Procedure
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<!-- This relates heavily to the Technical Specifications. Content here should link to that section when it is relevant to the training procedure. -->
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#### Preprocessing [optional]
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[More Information Needed]
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#### Training Hyperparameters
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- **Training regime:** [More Information Needed] <!--fp32, fp16 mixed precision, bf16 mixed precision, bf16 non-mixed precision, fp16 non-mixed precision, fp8 mixed precision -->
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### Results
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[More Information Needed]
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#### Summary
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## Model Examination [optional]
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<!-- Relevant interpretability work for the model goes here -->
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[More Information Needed]
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## Technical Specifications [optional]
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### Model Architecture and Objective
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[More Information Needed]
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### Compute Infrastructure
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[More Information Needed]
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#### Hardware
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[More Information Needed]
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#### Software
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[More Information Needed]
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## Citation [optional]
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If you use this dataset, please cite:
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This dataset is intended for training, evaluating, and benchmarking machine learning models that predict enzyme kinetic parameters from protein sequences or structural features.
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### Downstream Use
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The dataset can be used to train or benchmark other machine learning models for enzyme kinetic parameter prediction, or to reproduce and extend the experiments described in the CatPred publication.
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### Out-of-Scope Use
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This dataset reflects in vitro measurements and may not generalize to in vivo conditions. It should not be used as a sole basis for clinical or industrial enzyme selection without additional experimental validation.
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- datasets/ – CSV files for *k*cat, *K*m, and *K*i with train/test splits
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- scripts/ – Preprocessing and utility scripts
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## Data Fields
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Each entry typically includes:
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## Source Data
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Data was compiled and curated from public biochemical databases, including BRENDA and SABIO-RK, as described in the CatPred publication. Splits were designed to evaluate generalization to enzyme sequences dissimilar to those seen during training.
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## Citation
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If you use this dataset, please cite:
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