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Initial Structure to Relaxed Energy (IS2RE) prediction on OC20 IS2RE (Average)
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0.5489
Energy MAE (eV)
EQUIFORMER
0.543496
0.579973
0.61645
0.652927
Jun 11, 2024
Energy MAE (eV)
EWT (%)
Updated 24d ago
Evaluation Results
Method
Method
Links
Energy MAE (eV)
EWT (%)
EQUIFORMER
2024.06
0.5489
3.93
FAENET
radius cutoff=6.0, int...
2024.06
0.5679
3.78
MFAENET
radius cutoff=6.0, int...
2024.06
0.5691
3.7
SEGNN
2024.06
0.5715
4.03
COMENET
2024.06
0.5888
3.56
SPHERENET
2024.06
0.6024
3.64
DIMENET++
2024.06
0.6283
3.4
GEMNET-T
2024.06
0.6382
3.38
SCHNET
2024.06
0.684
2.65
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