GEOM
Benchmarks
TaskDatasetSOTA resultTrendResults
GEOM-Drugs
99.9Atom. Stability
27
GEOM-Drugs
96.5COV-R (%)
20
GEOM-DRUG (test)
89.98Atom Stability (%)
16
GEOM-Drugs
100Atom Stability (2D)
16
GEOM (test)
88.1Atom Stability
13
GEOM Drugs
100Validity
9
GEOM Drugs
89.2Atom Stability
7
GEOM (test)
1,000Trajectory Length (Steps)
6
GEOM Drugs (test)
99.8Atom Stability
4
geom Truncated geometric with parameter 0.05
1.418Consistency
3
GEOM with h
1.2Mean Value (μ)
3
GEOM
84.5Mol Stability Score
3
GEOM Drugs
-137.1NLL
3
GEOM-XL
2.05AMR Recall Mean
3
GEOM
0.811Atom Stable
2