STAGAN uses generative adversarial networks to perform small molecule map generation tasks, which are implemented in the Keras framework. It allows the user to run the model to generate a reference set of drug-like molecules.

⚙ Requirement

Refer to requirement.txt

🔧 Installation

• Install python 3.7 in Linux and Windows.
• If you want to run on a GPU, you will need to install CUDA and cuDNN, please refer to their websites for corresponding versions.
• Add your installation path and run the following command to install the STAGAN libraries in one step

pip install -r requirement.txt

🚀 Running STAGAN

You need to open main.py, run load_weights to read the pre-trained weights and get the generated molecules. Or provide training set molecules into graph coding for model training.

📖 Article

For more details about the methodology and experimental results, please refer to the paper:

STAGAN: An approach for improve the stability of molecular graph generation based on generative adversarial networks
DOI: 10.1016/j.compbiomed.2023.107691