Share your thoughts, 1 month free Claude Pro on usSee more

Molecular Property Prediction on QM9 2014 (test)

0.0529Dipole Moment (mu)

PhysNet

Updated 1mo ago

Evaluation Results

Method	Links
PhysNet 2022.10		0.0529	0.0615	32.9	24.7	42.5	0.765	1.39	8.15	8.34	8.42	9.4	0.028
InfoGraph 2022.10		0.041	0.099	48.1	38.1	72.2	0.114	1.69	16.4	14.9	14.5	16.5	0.03
LieTF 2022.10		0.041	0.082	33	27	51	0.448	2.1	17	16	17	19	0.035
EdgePred 2022.10		0.039	0.086	37.4	31.9	58.2	0.112	1.81	14.7	14.2	14.8	14.5	0.038
GPT-GNN 2022.10		0.039	0.103	35.7	28.8	54.1	0.158	1.75	12	24.8	14.8	12.2	0.032
Cormorant 2022.10		0.038	0.085	34	38	61	0.961	2.027	22	21	21	20	0.026
Transformer-M 2022.10		0.037	0.041	17.5	16.2	27.4	0.075	1.18	9.37	9.41	9.39	9.63	0.022
GEM 2022.10		0.034	0.081	33.8	27.7	52.1	0.089	1.73	13.4	12.6	13.3	13.2	0.035
3D Infomax 2022.10		0.034	0.075	29.8	25.7	48.8	0.122	1.67	12.7	12.5	12.4	13	0.033
Schnet 2022.10		0.033	0.235	41	34	63	0.073	1.7	14	19	14	14	0.033
GraphMVP 2022.10		0.031	0.07	28.5	26.3	46.9	0.082	1.63	10.2	10.3	10.4	11.2	0.033
DimeNet++ 2022.10		0.0297	0.0435	24.6	19.5	32.6	0.331	1.21	6.32	6.28	6.53	7.56	0.023
EGNN 2022.10		0.029	0.071	29	25	48	0.106	1.55	11	12	12	12	0.031
GraphCL 2022.10		0.027	0.066	26.8	22.9	45.5	0.095	1.42	9.6	9.7	9.6	10.2	0.028
NoisyNode 2022.10		0.025	0.052	20.4	18.6	28.6	0.7	1.16	7.3	7.57	7.43	8.3	0.025
PosPred 2022.10		0.024	0.067	25.1	20.9	40.6	0.115	1.46	10.2	10.3	10.2	10.9	0.035
AttrMask 2022.10		0.02	0.072	31.3	37.8	50	0.423	1.9	10.7	10.8	11.4	11.2	0.062
3D-MGP 2022.10		0.02	0.057	21.3	18.2	37.1	0.092	1.38	8.6	8.6	8.7	9.3	0.026
PaiNN 2022.10		0.012	0.045	27.6	20.4	45.7	0.066	1.28	5.85	5.83	5.98	7.35	0.024
TorchMD-Net 2022.10		0.011	0.059	20.3	17.5	36.1	0.033	1.84	6.15	6.38	6.16	7.62	0.026