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Top 20 features selected for the regression analysis of Tc, where (a) is without and (b) is with MEGNet element embeddings, along with the realized total loss reduction (i.e., the relevance score).
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.
Table S1 from the MatterSim paper