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Benchmarks
Molecule Generation on QM9 (test) (Property MAE and Validity)
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0.48
MAE (HOMO)
CoPHo*DiGress
0.462
0.5835
0.705
0.8265
Dec 17, 2025
MAE (HOMO)
MAE (μ)
MAE (HOMO+μ)
Validity (%)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (HOMO)
MAE (μ)
MAE (HOMO+μ)
Validity (%)
CoPHo*DiGress
strategy=Both controll...
2025.12
0.48
0.93
0.86
95.2
CoPHo+DiGress
strategy=CoPHo first a...
2025.12
0.49
0.84
0.83
96.6
DiGress
2025.12
0.56
0.81
0.87
96.8
CoPHo
2025.12
0.64
1.24
1.07
97.2
DiGress+CoPHo
strategy=DiGress guida...
2025.12
0.64
1.44
0.94
97.6
Uncondition
2025.12
0.93
1.71
1.34
95.4
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