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Benchmarks
Electronic Property Prediction on Malondialdehyde
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12.32
MAE (K) (10^-6 Eh)
PhiSNet
5.1688
53.4394
101.71
149.9806
Jun 4, 2021
MAE (K) (10^-6 Eh)
MAE (S) (10^-6)
MAE (Energy Epsilon) (10^-6 Eh)
Cosine Similarity (psi)
Updated 1mo ago
Evaluation Results
Method
Method
Links
MAE (K) (10^-6 Eh)
MAE (S) (10^-6)
MAE (Energy Epsilon) (10^-6 Eh)
Cosine Similarity (psi)
PhiSNet
2021.06
12.32
0.567
73.5
1
SchNOrb
2021.06
191.1
67.3
400.6
0.99
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