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Benchmarks
Molecular Graph Generation on GuacaMol
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100
Validity
Training Set
84.608
88.604
92.6
96.596
Jan 20, 2026
Validity
Validity & Uniqueness
Validity & Uniqueness & Novelty
KL Divergence
FCD
Time (s)
Updated 4d ago
Evaluation Results
Method
Method
Links
Validity
Validity & Uniqueness
Validity & Uniqueness & Novelty
KL Divergence
FCD
Time (s)
Training Set
2026.01
100
100
0
99.9
92.8
-
DeFoG
2026.01
99
99
97.9
97.7
73.8
40,000
Cometh
2026.01
98.9
98.9
97.6
96.7
72.7
40,000
LG-Flow
2026.01
93
93
91.5
97.2
81.8
1,100
DisCo
2026.01
86.6
86.6
86.5
92.6
59.7
-
DiGress
2026.01
85.2
85.2
85.1
92.9
68
-
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