# Modified version of M3RG-IITD/benchmarking_graph


## Getting started

The necessary environment can be set up with:
numpy-1.20.3, jax-0.2.24, jax-md-0.1.20, jaxlib-0.1.73, jraph-0.0.1 ;
for further details see [requirements.txt] file.

Datasets can be generated with the scripts in /scripts/Spring-data-*.
Scripts to reproduce model training or inference are in /scripts.
The rollout error can be plotted using /results/plot_results.ipynb


