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Benchmarks
Conditional Molecular Generation (LUMO) on QM9 (test)
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36
MAE
L-bound
-20.84
362.83
746.5
1,130.17
Nov 1, 2024
MAE
MS (%)
Validity (%)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE
MS (%)
Validity (%)
L-bound
2024.11
36
-
-
OG
mode=online guidance
2024.11
170
21.1
42.3
TACS
2024.11
289
82.7
91.3
TCS
2024.11
493
91.7
96.2
EEGSDE
2024.11
494
81.4
91.1
EDM
2024.11
602
81
91.4
U-bound
2024.11
1,457
-
-
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