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AlexanderKroll authored Nov 18, 2022
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This repository contains the code and datasets to reproduce the results and figures and to train the models from our paper "The substrate scopes of enzymes: a general prediction model based on machine and deep learning".


#### For people interested in using the trained prediction model, we implemented a [web server](https://esp.cs.hhu.de/) that allows an easy use of our trained model. The prediction tool can be run in a web-browser and does not require the installation of any software. Prediction results are usually ready within a few minutes.
#### For people interested in using the trained prediction model, we implemented a [web server](https://esp.cs.hhu.de/) that allows an easy use of our trained model. The prediction tool can be run in a web-browser and does not require the installation of any software. Prediction results are usually ready within a few minutes. Example inputs can be found on the homepage.

## Using code and reporducing results
All code to reproduce the results is available in the form of Jupyter Notebooks in the folder "notebooks_and_code". All code and produced output files are available in the folder "data".

## Requirements for running the code in this GitHub repository

The code was implemented and tested on Windows with the following packages and versions (installation took ~20 minutes)
- python 3.7.7
- jupyter
- pandas 1.3.0
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