mlip-arena / mlip_arena /tasks /diatomics /homonuclear-diatomics.tex
github-actions[ci]
Clean sync from main branch - 2025-08-07 22:25:30
dfef45c
\begin{tabular}{lrrrrrrrrrrr}
\toprule
& Rank & Rank aggr. & Conservation deviation [eV/Å] & Spearman's coeff. (E: repulsion) & Spearman's coeff. (F: descending) & Energy jump [eV] & Force flips & Tortuosity \\
Model & & & & & & & & \\
\midrule
MACE-MPA & 1 & 13 & 0.077 & -0.997 & -0.975 & 0.010 & 1.371 & 1.006 \\
MACE-MP(M) & 2 & 15 & 0.070 & -0.997 & -0.980 & 0.038 & 1.449 & 1.161 \\
MatterSim & 3 & 20 & 0.013 & -0.980 & -0.972 & 0.008 & 2.766 & 1.021 \\
M3GNet & 4 & 24 & 0.026 & -0.991 & -0.947 & 0.029 & 3.528 & 1.016 \\
ORBv2 & 5 & 30 & 9.751 & -0.883 & -0.988 & 0.991 & 0.991 & 1.287 \\
eSCN(OC20) & 6 & 32 & 2.045 & -0.939 & -0.984 & 0.806 & 0.640 & 5.335 \\
CHGNet & 7 & 35 & 1.066 & -0.992 & -0.925 & 0.291 & 2.255 & 2.279 \\
ORB & 8 & 39 & 10.220 & -0.881 & -0.954 & 1.019 & 1.026 & 1.798 \\
SevenNet & 9 & 41 & 34.005 & -0.986 & -0.928 & 0.392 & 2.112 & 1.292 \\
eqV2(OMat) & 10 & 51 & 15.477 & -0.880 & -0.976 & 4.118 & 3.126 & 2.515 \\
eSEN & 11 & 55 & 1.170 & -0.692 & -0.919 & 5.562 & 4.000 & 1.838 \\
ALIGNN & 12 & 59 & 5.164 & -0.913 & -0.310 & 9.876 & 30.669 & 1.818 \\
EquiformerV2(OC20) & 13 & 71 & 21.385 & -0.680 & -0.891 & 38.282 & 22.775 & 8.669 \\
EquiformerV2(OC22) & 14 & 75 & 27.687 & -0.415 & -0.855 & 64.837 & 21.674 & 15.880 \\
MACE-OFF(M) & 15 & 85 & NaN & NaN & NaN & NaN & NaN & NaN \\
ANI2x & 16 & 91 & NaN & NaN & NaN & NaN & NaN & NaN \\
\bottomrule
\end{tabular}