Rowan Benchmarks

All X23b Results

X23b is a revised verison of X23, a periodic benchmark that evaluates the accuracy of reproducing experimental lattice energies and unit-cell volumes for 23 organic molecular crystals. Lattice energy (MAE) is shown in kcal/mol. Cell volume (MAPE, or mean average percent error) is shown in percentage. See all X23b results.

NameBenchmarked By
r²SCAN-3c0.973.68link
Egret-12.614.38
MACE-MP-0b2(Large)-D3BJ3.473.03
GFN2-xTB5.387.76
eSEN-OAM9.1632.35
MACE-MP-0b2(Large)9.2822.39
AIMNet2 (ωB97M-D3, new)9.3219.41
Egret-1e11.2315.43
Egret-1t21.0011.90
Orb-v3 (Conservative Inf. OMat)26.7912.30
Prescient's StrainRelief MACE877733.6312.74