Rowan Benchmarks

All Optimization Results

Optimization is a simple benchmark that evaluates a method's ability to optimize 25 drug-like molecules without producing imaginary frequencies. Optimizations are run using the sella optimizer, 0.01 eV/Γ… fmax, and max. 250 steps. See all optimization results.

NameBenchmarked By
AIMNet2 (Ο‰B97M-D3, new)2512.88210.16
AIMNet2 (Ο‰B97M-D3, old)2512.72210.16
eSEN-OAM24109.46190.21
OMol25's eSEN Conserving Small24100.88180.25
Egret-11587.6780.53
OMat24 eqV2-L791.2931.14