PANC1: AI-driven Discovery of Synergistic Drug Combinations

This project applies AI and machine learning models to identify synergistic drug combinations for pancreatic cancer (PANC-1) treatment.

Installation

Clone the repository:

git clone https://github.com/ncats/PANC1.git

Packages Used

•	Python 3.7.7
•	Jupyter Notebooks
•	PyTorch
•	RDKit for molecular descriptors
•	Pandas, NumPy, scikit-learn for data processing and model training

Usage

Run the Jupyter notebooks to preprocess data, train models, and analyze results.

MIT Models and Scripts

Models and scripts developed by MIT are included in the MIT folder.

NCATS Models and Scripts

NCATS models and related scripts are located in the NCATS folder.

UNC Simulations

UNC simulation scripts and data are provided in the UNC folder.

License

MIT License.