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Benchmarks
Molecule Generation on QM9 (Validity and Uniqueness)
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96.02
Validity
ADiT-S QM9-only
2.1912
26.5506
50.91
75.2694
Mar 23, 2026
Mar 31, 2026
Apr 8, 2026
Apr 16, 2026
Apr 24, 2026
May 2, 2026
May 11, 2026
Validity
Uniqueness
Updated 22d ago
Evaluation Results
Method
Method
Links
Validity
Uniqueness
ADiT-S QM9-only
Model size=S, Training...
2026.03
96.02
97.76
UNITE-S
Model size=S
2026.03
94.9
99.71
GeoLDM
2026.03
93.8
92.9
EDM
2026.03
91.9
90.7
PairFlow (+DCD)
Method category=Flow d...
2026.05
44.3
44.1
Spherical Laplace Gradient
Method category=Drifti...
2026.05
38.9
44.1
PairFlow (+ReDi)
Method category=Flow d...
2026.05
35.3
35.1
UDLM (+DCD)
Method category=Flow d...
2026.05
31.5
31.3
Euclidean Laplace
Method category=Drifti...
2026.05
22
40
UDLM (+ReDi)
Method category=Flow d...
2026.05
5.8
5.8
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