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Benchmarks
Adsorption energy prediction on OC20 IS2RE (val)
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403
MAE
TGT-At
392.48
463.49
534.5
605.51
Feb 7, 2024
MAE
EwT
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE
EwT
TGT-At
2024.02
403
8.82
Uni-Mol+
2024.02
408.8
8.61
TGT-Ag
2024.02
423.7
8.64
EquiFormer
Auxiliary=NN
2024.02
441
6.04
DRFormer
2024.02
442.5
6.84
Moleformer
2024.02
460
5.48
GNS
Auxiliary=NN
2024.02
480
-
Graphormer-3D
2024.02
498
-
SphereNet
2024.02
602.4
3.64
DimeNet++
2024.02
621.7
3.42
SchNet
2024.02
666
2.65
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