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Benchmarks
Conformation Generation on GEOM-QM9 Domain Generalization
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83.5
Coverage Recall Mean
SubGDiff
-3.2464
19.2743
41.795
64.3157
May 9, 2024
Coverage Recall Mean
Coverage Recall Median
Atomic Radius Recall Mean (Å)
Atomic Radius Recall Median (Å)
Updated 3d ago
Evaluation Results
Method
Method
Links
Coverage Recall Mean
Coverage Recall Median
Atomic Radius Recall Mean (Å)
Atomic Radius Recall Median (Å)
SubGDiff
Train data=Drugs
2024.05
83.5
88.7
0.3116
0.3075
CGCF
Train data=QM9
2024.05
78.05
82.48
0.4219
0.39
ConfVAE
Train data=QM9
2024.05
77.84
88.2
0.4154
0.3739
GeoDiff
Train data=Drugs
2024.05
74.94
79.15
0.3492
0.3392
Simm & Hernandez-Lobato
Train data=QM9
2024.05
73.33
84.21
0.4245
0.3973
GeoMol
Train data=QM9
2024.05
71.26
72
0.3731
0.3731
CVGAE
Train data=QM9
2024.05
0.09
0
1.6713
1.6088
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