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Benchmarks
Initial Structure to Relaxed Energy Prediction on OC20 IS2RE (OOD-ADS)
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0.6115
Energy MAE (eV)
FAENET
0.606592
0.639721
0.67285
0.705979
Jun 11, 2024
Energy MAE (eV)
EWT (%)
Updated 24d ago
Evaluation Results
Method
Method
Links
Energy MAE (eV)
EWT (%)
FAENET
radius cutoff=6.0, int...
2024.06
0.6115
2.95
MFAENET
radius cutoff=6.0, int...
2024.06
0.6203
2.96
EQUIFORMER
2024.06
0.6271
2.93
SEGNN
2024.06
0.6432
2.8
COMENET
2024.06
0.6602
2.71
SPHERENET
2024.06
0.6682
2.7
DIMENET++
2024.06
0.7224
2.06
SCHNET
2024.06
0.7342
2.22
GEMNET-T
2024.06
0.7342
2.24
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