Supporting data/models for the article "Exploring elastic properties of molecular crystals with universal machine learning interatomic potentials"

Files Nequip@SPICEv*.pth are the Nequip models (https://github.com/mir-group/nequip) trained on the SPICE 1 dataset (https://github.com/openmm/spice-dataset/tree/main) File [e-mail] is the MACE model (https://github.com/ACEsuit/mace) trained on the SPICE 2 dataset (https://github.com/openmm/spice-dataset/tree/main) File Elasic_calculation_script.py is the Python script use to perform elastic calculations. Files Young_Modulus_* are results of high-throughput calculations of Young's modulus. Files Min_Linear_Compressibility_* are results of high-throughput calculations of minimum linear compressibility.