Project for Computational intelligence course. Genetic algorithm for discovery of molecular structures with potential medical properties, using developed GUI application.
Before you start, make sure you have the following installed:
- PyQt5: A set of Python bindings for Qt libraries to create graphical user interfaces.
- matplotlib
- RDKit: A collection of cheminformatics and machine learning tools.
To install these dependencies, execute either set of the following commands:
pip install pyqt5
pip install rdkitconda install pyqt5
conda install -c conda-forge rdkitTo run the application, clone this repository, and after positioning in the project directory, execute the following commands:
cd geneticAlgorithm
python3 main.py
