diff --git a/README.md b/README.md index fb611fc..ff787f0 100644 --- a/README.md +++ b/README.md @@ -2,11 +2,13 @@ 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