GEOM-QM9
Benchmarks
TaskDatasetSOTA resultTrendResults
GEOM-QM9 δ = 0.5Å (test)
96.7Recall COV Mean
39
GEOM-QM9
98.9Coverage
20
GEOM-QM9 delta = 0.5Å
90.08COV-R Mean (%)
13
GEOM-QM9 (test)
96.7Coverage Recall Mean
10
GEOM-QM9 (test)
91.52COV-R Mean
10
GEOM-QM9
90.91Mean COV-R
8
GEOM-QM9 molecular system C#C[C@H](C=O)CCC (test)
0.318Energy (kcal/mol)
6