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Initial Structure to Relaxed Energy on OC20 IS2RE (val)

0.3795Energy MAE (ID)

Uni-Mol+

Updated 4d ago

Evaluation Results

Method	Links
Uni-Mol+ 2023.03		0.3795	0.4526	0.4011	0.4021	0.4088	11.15	6.71	9.9	6.68	8.61
EquiFormer 2023.03		0.4156	0.4976	0.4165	0.4344	0.441	7.47	4.64	7.19	4.84	6.04
DRFormer 2023.03		0.4187	0.4863	0.4321	0.4332	0.4425	8.39	5.42	8.12	5.44	6.84
EquiFormer 2023.03		0.4222	0.542	0.4231	0.4754	0.4657	7.23	3.77	7.13	4.1	5.56
Graphormer-3D 2023.03		0.4329	0.585	0.4441	0.5299	0.498	-	-	-	-	-
GNS 2023.03		0.47	0.51	0.48	0.46	0.48	-	-	-	-	-
Equiformer 2022.06		0.5088	0.6271	0.5051	0.5545	0.5489	4.88	2.93	4.92	2.98	3.93
SEGNN 2022.06		0.531	0.6432	0.5341	0.5777	0.5715	5.32	2.8	4.89	3.09	4.03
GNS 2023.03		0.54	0.65	0.55	0.59	0.5825	-	-	-	-	-
(S)EGNN 2022.06		0.5497	0.6851	0.5519	0.6102	0.5992	4.99	2.5	4.71	2.88	3.77
ComENet 2022.06		0.5558	0.6602	0.5491	0.5901	0.5888	4.17	2.71	4.53	2.83	3.56
GemNet-T 2022.06		0.5561	0.7342	0.5659	0.6964	0.6382	4.51	2.24	4.37	2.38	3.38
GemNet-T 2023.03		0.5561	0.7342	0.5659	0.6964	0.6382	4.51	2.24	4.37	2.38	3.38
GemNet-T 2022.06		0.5561	0.7342	0.5659	0.6964	0.6382	4.51	2.24	4.37	2.38	3.38
SphereNet 2022.06		0.5632	0.6682	0.559	0.619	0.6024	4.56	2.7	4.59	2.7	3.64
SphereNet 2023.03		0.5632	0.6682	0.559	0.619	0.6024	4.56	2.7	4.59	2.7	3.64
SphereNet 2022.06		0.5632	0.6682	0.559	0.619	0.6023	4.56	2.7	4.59	2.7	3.64
DimeNet++ 2022.06		0.5636	0.7127	0.5612	0.6492	0.6217	4.25	2.48	4.4	2.56	3.42
DimeNet++ 2023.03		0.5636	0.7127	0.5612	0.6492	0.6217	4.25	2.48	4.4	2.56	3.42
DimeNet++ 2022.06		0.5636	0.7127	0.5612	0.6492	0.6217	4.25	2.48	4.4	2.56	3.42
CGCNN 2022.06		0.6203	0.7426	0.6001	0.6708	0.6585	3.36	2.11	3.53	2.29	2.82
SchNet 2022.06		0.6465	0.7074	0.6475	0.6626	0.666	2.96	2.22	3.03	2.38	2.65
SchNet 2023.03		0.6465	0.7074	0.6475	0.6626	0.666	2.96	2.22	3.03	2.38	2.65
SchNet 2022.06		0.6465	0.7074	0.6475	0.6626	0.666	2.96	2.22	3.03	2.38	2.65