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Molecular Generation on QM9 (train test)
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99.5
Uniqueness
ModFlow
5.692
30.046
54.4
78.754
Oct 12, 2022
Uniqueness
Validity
Novelty
Reconstruction
Updated 1mo ago
Evaluation Results
Method
Method
Links
Uniqueness
Validity
Novelty
Reconstruction
ModFlow
Architecture=2D-EGNN,...
2022.10
99.5
-
100
100
ModFlow
Architecture=JT-3D-EGN...
2022.10
99.3
-
100
100
GraphNVP
Post-hoc validity corr...
2022.10
99.2
83.1
58.2
100
ModFlow
Architecture=JT-2D-EGN...
2022.10
99.2
-
100
100
ModFlow
Architecture=3D-EGNN,...
2022.10
99.1
-
100
100
MoFlow
Post-hoc validity corr...
2022.10
98.5
89
96.4
100
GraphDF
Post-hoc validity corr...
2022.10
97.6
82.7
98.1
100
GraphAF
Post-hoc validity corr...
2022.10
94.2
67
88.8
100
GRF
Post-hoc validity corr...
2022.10
66
84.5
58.6
100
GVAE
Post-hoc validity corr...
2022.10
9.3
60.2
80.9
96
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