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Benchmarks
Conditional Molecular Generation (delta epsilon) on QM9 (test)
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65
MAE
L-bound
9.04
386.77
764.5
1,142.23
Nov 1, 2024
MAE
MS
Validity
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE
MS
Validity
L-bound
2024.11
65
-
-
OG
mode=online guidance
2024.11
95.2
31.3
61.9
TACS
2024.11
332
88.8
93.9
EEGSDE
2024.11
539
80.1
90.5
TCS
2024.11
594
91.9
96
EDM
2024.11
673
81.8
90.9
U-bound
2024.11
1,464
-
-
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