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Unconditional molecule generation on MOSES SF (test)
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100
Validity
JT-VAE
85.128
88.989
92.85
96.711
Feb 18, 2026
Validity
Uniqueness
Novelty
Structural Filters Pass Rate
FCD
SNN Similarity
Scaffold Similarity
Updated 4d ago
Evaluation Results
Method
Method
Links
Validity
Uniqueness
Novelty
Structural Filters Pass Rate
FCD
SNN Similarity
Scaffold Similarity
JT-VAE
2026.02
100
100
99.9
97.8
81.8
0.53
10
MOLER
2026.02
100
99.9
97.1
-
85.2
-
-
NSGGM
2026.02
100
100
94.4
97.1
82.3
0.5
11.2
GraphINVENT
2026.02
96.4
99.8
-
95
78.3
0.54
12.7
DISCO-GT
2026.02
88.3
100
97.7
95.6
74.9
0.5
15.1
DiGRESS
2026.02
85.7
100
95
97.1
78.8
0.52
14.8
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