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Initial Structure to Relaxed Energy on OC20 IS2RE (test)
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309
Energy MAE (meV)
EquiformerV2
291.4
410.2
529
647.8
Jun 21, 2023
Energy MAE (meV)
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE (meV)
EquiformerV2
Training set=OC20 S2EF...
2023.06
309
EquiformerV2
Training set=OC20 S2EF...
2023.06
311
EquiformerV2
Training set=OC20 S2EF...
2023.06
315
EquiformerV2
Training set=OC20 S2EF...
2023.06
316
SCN L=8 K=20
Training set=OC20 S2EF...
2023.06
321
eSCN L=6 K=20
Training set=OC20 S2EF...
2023.06
323
SCN L=6 K=16 (4-tap 2-band)
Training set=OC20 S2EF...
2023.06
328
SCN L=8 K=20
Training set=OC20 S2EF...
2023.06
330
eSCN L=6 K=20
Training set=OC20 S2EF...
2023.06
341
GemNet-OC-L-F+E
Training set=OC20 S2EF...
2023.06
348
GemNet-OC
Training set=OC20 S2EF...
2023.06
355
GemNet-dT
Training set=OC20 S2EF...
2023.06
400
SpinConv
Training set=OC20 S2EF...
2023.06
437
DimeNet++-L-F+E
Training set=OC20 S2EF...
2023.06
559
SchNet
Training set=OC20 S2EF...
2023.06
749
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