Performance of MatterSim on benchmark datasets

Performance comparison of M3GNet and Graphormer as end-to-end models

Table S5 from the MatterSim paper: Comparison of property prediction performance for M3GNet and Graphormer models.

Speed comparasion running MLIP MD on CPU vs GPU

Not exactly the most rigorous test, but this side-by-side comparison shows the difference between running MD locally (M2 Macbook Air) and on a proper server (g4dn.2xl with T4 GPU). Each log is actually 100 simulation steps too.

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Video file

MatterSim

Authors present MatterSim, a deep learning model actively learned from large-scale first-principles computations, for efficient atomistic simulations at first-principles level and accurate prediction of broad material properties across the periodic table, spanning temperatures from 0 to 5000 K and pressures up to 1000 GPa. https://arxiv.org/abs/2405.04967

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PDF file

Performance of MatterSim on benchmark datasets

Performance of MatterSim on benchmark datasets

Connections

Notes on MatterSim

Similar files

Performance comparison of M3GNet and Graphormer as end-to-end models

Speed comparasion running MLIP MD on CPU vs GPU

MatterSim