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ab initio generation on Carbon-24
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100
Structural Validity
CDVAE
-3.9168
23.0616
50.04
77.0184
Jul 30, 2023
Structural Validity
Compositional Validity
COV-R
COV-P
Property Deviation (dw)
Property Deviation (dp)
Property Deviation (delem)
Updated 3d ago
Evaluation Results
Method
Method
Links
Structural Validity
Compositional Validity
COV-R
COV-P
Property Deviation (dw)
Property Deviation (dp)
Property Deviation (delem)
CDVAE
2023.07
100
-
99.8
83.08
0.1407
0.285
-
DiffCSP
2023.07
100
-
99.9
97.27
0.0805
0.082
-
G-SchNet
2023.07
99.94
-
0
0
0.9427
1.32
-
P-G-SchNet
2023.07
48.39
-
0
0
1.533
134.7
-
FTCP
2023.07
0.08
-
0
0
5.206
19.05
-
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