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Benchmarks
Conditional Molecular Generation (HOMO) on QM9 (test)
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39
MAE
L-bound
14.76
178.38
342
505.62
Nov 1, 2024
MAE
MS (%)
Validity (%)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE
MS (%)
Validity (%)
L-bound
2024.11
39
-
-
TACS
2024.11
168
87.3
93
OG
mode=online guidance
2024.11
233
11.5
40.8
EEGSDE
2024.11
300
78.7
91.2
TCS
2024.11
338
92.7
96.6
EDM
2024.11
372
79.6
91.6
U-bound
2024.11
645
-
-
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