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Structure to Energy and Forces on OC20 S2EF (test splits average)

19Force MAE (meV/Å)

GemNet-OC-L-F

Updated 4d ago

Evaluation Results

Method	Links
GemNet-OC-L-F 2022.04		19	241	0.691	2.97
GemNet-XL 2022.04		20.5	270	0.66	1.81
GemNet-OC 2022.04		20.7	233	0.666	2.5
GemNet-OC-L-E 2022.04		21	230	0.665	2.8
GemNet-dT 2022.04		24.2	292	0.616	1.2
GemNet-OC 2022.04		24.3	274	0.603	1.25
GemNet-dT 2022.04		28.1	323	0.559	0.69
SpinConv 2021.06		29.66	336.3	0.5391	45
SpinConv 2022.04		29.7	336	0.539	0.45
ForceNet-large 2021.06		31.13	-	0.5195	-
DimeNet++-L-F+E 2022.04		31.3	480	0.544	0
ForceNet-large 2022.04		32	-	0.516	0.01
SpinConv 2021.06		32.58	-	0.4976	-
DimeNet++-large 2021.06		32.75	-	0.5408	-
PaiNN 2022.04		33.1	341	0.491	0.46
ForceNet 2021.06		34.32	-	0.477	-
SpinConv 2022.04		35.5	401	0.475	0.13
DimeNet++ 2021.06		35.73	-	0.4785	-
SpinConv 2021.06		38.88	411.4	0.4299	16
DimeNet++ 2021.06		47.58	534.3	0.356	5
SchNet 2021.06		49.03	-	0.3413	0
SchNet 2022.04		54.7	540	0.302	0.06
DimeNet++ 2022.04		63	761	0.222	0.01
CGCNN 2022.04		73.3	608	0.146	0.01
SchNet 2022.04		77.1	1,370	0.116	0
Median 2021.06		84.38	2,258	0.0156	0.5
DimeNet++ 2021.06		345.9	480.2	0.1021	0