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Benchmarks
Unconditional molecule generation on QM9 implicit hydrogens (80/10/10)
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1
Validity
JT-VAE
0.948
0.9615
0.975
0.9885
Feb 18, 2026
Validity
Uniqueness
FCD
KL Divergence
Updated 4d ago
Evaluation Results
Method
Method
Links
Validity
Uniqueness
FCD
KL Divergence
JT-VAE
2026.02
1
0.549
0.588
0.891
MOLER
2026.02
1
0.94
0.931
0.969
MICAM
2026.02
1
0.932
0.945
0.98
NSGGM
2026.02
1
0.961
0.947
0.94
LO-ARM-ST-SEP
2026.02
0.999
0.989
0.953
-
DISCO-GT
2026.02
0.993
0.995
-
-
DIGRESS
2026.02
0.99
0.962
-
-
UNIGEM
2026.02
0.95
0.981
-
-
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