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Benchmarks
Conditional Molecular Generation (alpha) on QM9 (test)
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0.09
MAE
L-bound
-0.2656
2.1347
4.535
6.9353
Nov 1, 2024
MAE
MS (%)
Validity (%)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE
MS (%)
Validity (%)
L-bound
2024.11
0.09
-
-
OG
mode=online guidance
2024.11
0.55
21.2
48.7
TACS
2024.11
1.44
86
92.5
TCS
2024.11
1.85
87.5
93.8
EEGSDE
2024.11
2.62
79.8
89.2
EDM
2024.11
2.77
79.6
89.9
U-bound
2024.11
8.98
-
-
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