Benchmarking Graph

Link of the paper accepted at NeurIPS 2022:

https://arxiv.org/abs/2211.05520

Requirement

numpy-1.20.3, jax-0.2.24, jax-md-0.1.20, jaxlib-0.1.73, jraph-0.0.1.dev create virtual environment using "requirements.txt" file

How to run

Run all spcripts from scripts directory

1. For data: a) Using Data generation files for: Spring system: Spring-data.py, Spring-data-HGNN.py, Spring-data-FGNN.py and Pendulum system: Pendulum-data.py, Pendulum-data-HGNN.py, Pendulum-data-FGNN.py or b) Download the data using https://doi.org/10.5281/zenodo.7015041

2. Run respective model using "sys.py" file and post simulation using "sys-post.py" file. (sys: simulation system)