Code

Python code to run and train our prediction models is available at the following GitHub repositories.

Enzyme-Substrate Pair Prediction

Running the original ESP model:
https://github.com/AlexanderKroll/ESP_prediction_function
Reproducing the results of the ESP paper:
https://github.com/AlexanderKroll/ESP
Reproducing the results of the ProSmith paper:
https://github.com/AlexanderKroll/ProSmith

Turnover Number k_cat Prediction

Running the trained model:
https://github.com/AlexanderKroll/kcat_prediction_function
Reproducing the results of the paper:
https://github.com/AlexanderKroll/kcat_prediction

Michaelis Constant K_M Prediction

Running the trained model:
https://github.com/AlexanderKroll/KM_prediction_function
Reproducing the results of the paper:
https://github.com/AlexanderKroll/KM_prediction

Transporter-Substrate Pair Prediction

Reproducing the results of the paper:
https://github.com/AlexanderKroll/SPOT