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.
| Name | Benchmarked By | ||
|---|---|---|---|
| r²SCAN-3c | 0.97 | 3.68 | link |
| Egret-1 | 2.61 | 4.38 | |
| MACE-MP-0b2(Large)-D3BJ | 3.47 | 3.03 | |
| GFN2-xTB | 5.38 | 7.76 | |
| eSEN-OAM | 9.16 | 32.35 | |
| MACE-MP-0b2(Large) | 9.28 | 22.39 | |
| AIMNet2 (ωB97M-D3, new) | 9.32 | 19.41 | |
| Egret-1e | 11.23 | 15.43 | |
| Egret-1t | 21.00 | 11.90 | |
| Orb-v3 (Conservative Inf. OMat) | 26.79 | 12.30 | |
| Prescient's StrainRelief MACE | 877733.63 | 12.74 |