This project is designed to predict whether a given molecule is bitter or sweet, and to compare the molecular substructures of different molecules. It uses machine learning algorithms to analyze the chemical properties of the molecules and make predictions based on those properties. also this project made by scAIence team in the Econovation.
To install this project, you will need to have Python 3 installed on your system. You can then install the required dependencies using pip:
pip install -r requirements.txt
To use this project, you will need to provide a dataset of molecules in SMILES format. You can then use the predict.py script to make predictions on the dataset:
This will generate a CSV file containing the predicted bitterness or sweetness of each molecule in the dataset.
This project is licensed under the MIT License - see the LICENSE file for details.