QM9
Benchmarks
Task NameDataset NameSOTA ResultTrendResults
QM9
100Atom Stability (2D)
21
QM9
100AUC
20
QM9 (test)
99.9Uniqueness
20
QM9 2014 (test)
0.053Dipole Moment (mu)
20
QM9 (test)
86.2Tanimoto Similarity
19
QM9
0.14MAE
19
QM9
0.925Property 0 Value
19
QM9
98.4AUC
18
QM9
99.1Validity A
18
QM9
0.003Gap Energy Error (delta_e)
18
QM9
4.36Mean Relative Error (MR)
17
QM9
1.616Dipole Moment µ (D)
16
QM9
48MAE (εho)
14
QM9
58MAE (εlu)
14
QM9
44MAE (εho)
14
QM9
78MAE (Δε)
14
QM9
0.45MAE (Cv)
14
QM9 (test)
99.1Validity
14
QM9 (test)
90.3Molecule Stability
14
QM9 original (test)
675.47Throughput (Mol/min)
14
QM9
98.02Validity (w/o correction)
13
QM9 2D
100Validity
13
QM9
99.9P (0 rings)
13
QM9 (test)
53.2Δm%
13
QM9
99.92Validity
12