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Unconditional molecule generation on GEOM
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84.5
Mol Stability Score
MoleculeJAE
2.34
23.67
45
66.33
Dec 6, 2023
Mol Stability Score
Atom Stability
Validity
Uniqueness
AtomTV
BondTV
ValW1 Fidelity
Bond Lengths Fidelity (W1)
Bond Angles Fidelity (W1)
Updated 4d ago
Evaluation Results
Method
Method
Links
Mol Stability Score
Atom Stability
Validity
Uniqueness
AtomTV
BondTV
ValW1 Fidelity
Bond Lengths Fidelity (W1)
Bond Angles Fidelity (W1)
MoleculeJAE
Pre-training dataset=P...
2023.12
84.5
0.996
0.797
1
0.059
0.021
0.008
0.003
2.16
MiDi
Molecule representatio...
2023.12
69.2
0.99
0.674
1
0.059
0.024
0.036
0.012
5.47
EDM
Epochs=3000
2023.12
5.5
0.929
0.348
1
0.212
0.049
0.112
0.002
6.23
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