Closed RylieWeaver closed 2 months ago
This conducts force prediction tests. It directly pulls from the Lennard Jones example, rather than creating its own data independently as done in test_graphs.py. The model stacks that work with this are SchNet, EGNN, DimeNet, and PNAPlus.
This conducts force prediction tests. It directly pulls from the Lennard Jones example, rather than creating its own data independently as done in test_graphs.py. The model stacks that work with this are SchNet, EGNN, DimeNet, and PNAPlus.