This subdirectory contains code to evaluate the models presented in the manuscript to
obtain the plots and the numbers reported in the tables.

- geop-and-phonons: this subdirectory contains
    1. geometry optimization scripts
    2. phonon scripts
    3. plotting scripts
    4. the figures generated by the plotting scripts
    5. scripts to produce the force-vs-displacement plots in the appendix

- SPICE: this subdirectory contains
    1. the metatrain evaluation script to evaluate models on the test subsets of SPICE
    2. the script used to benchmark the inference timings of PET and MACE models
    3. the script used to plot the results

- matbench-discovery: this subdirectory contains the modified version of
  https://github.com/janosh/matbench-discovery that was used to run the results shown
  in the manuscript. In particular, the `matbench-discovery/models/pet/` path contains
  the evaluation scripts for the PET model

- LAMbench: contains various scripts used to obtain the LAMbench results in the
  corresponding appendix

- MADBench: contains various scripts used to obtain the MADBench results in the
  corresponding appendix
