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Benchmarks
Property Prediction on QM9 130,831 cleaned version (test)
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9.65
HOMO Energy (meV)
CGT
9.428
10.9265
12.425
13.9235
Mar 17, 2026
HOMO Energy (meV)
LUMO Energy (meV)
Band Gap (meV)
ZPVE (meV)
U0 Energy (meV)
U Energy (meV)
H Energy (meV)
G Energy (meV)
Polarizability (a0^3)
Heat Capacity (cal/mol K)
Updated 1mo ago
Evaluation Results
Method
Method
Links
HOMO Energy (meV)
LUMO Energy (meV)
Band Gap (meV)
ZPVE (meV)
U0 Energy (meV)
U Energy (meV)
H Energy (meV)
G Energy (meV)
Polarizability (a0^3)
Heat Capacity (cal/mol K)
CGT
Params=17M, Pretrain D...
2026.03
9.65
9.05
19.7
1.22
3.96
4.11
4
5.29
0.0383
0.019
CT
Params=10M, Pretrain D...
2026.03
12.7
11.5
24.5
1.18
3.58
3.5
3.52
5.29
0.0377
0.021
Uni-Corn
Pretrain Data=15M
2026.03
13
11.9
24.9
1.4
3.99
3.95
3.94
5.09
0.036
0.019
EPT-10
Params=30M, Pretrain D...
2026.03
15.2
13.6
29
1.11
5.44
5.54
5.42
6.37
0.045
0.02
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