M3RG-IITD/BroGNet

BroGNet (Brownian Graph Neural Network)

Installation

To install environment via pip, follow the steps below:

# Create a virtual environment and activate it
python -m venv jaxbrow
source jaxbrow/bin/activate

# Clone and install BroGNet
git clone https://github.com/BishnoiSuresh/BroGNet.git
pip install BroGNet/requirements.txt

Running Instructions

1. Navigate to the 'notebooks' directory.
2. Generate data by executing the 'spring-data-brow.py' file.
3. Train the model by running the 'spring_5BroGNet.py' file.
4. Perform a forward simulation by executing the 'spring_5BroGNet-post.py' file.

Visualization of trajectories