Bulk moduli prediction on Materials Project (test)
0.043MAE (log GPa)Matformer
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| Matformer2022.09 | 0.043 | — | — | — | |
| GATGNNSource=Retrained2022.09 | 0.045 | — | — | — | |
| CGCNNSource=Retrained2022.09 | 0.047 | — | — | — | |
| MEGNETSource=Original paper results2022.09 | 0.05 | — | — | — | |
| ALIGNNSource=Retrained2022.09 | 0.051 | — | — | — | |
| CGCNNSource=Original paper results2022.09 | 0.054 | — | — | — | |
| MEGNETSource=Retrained, Radius=12-th smallest distance, Batch size=642022.09 | 0.06 | — | — | — | |
| SchNetSource=Retrained, Radius=32-th smallest distance2022.09 | 0.066 | — | — | — | |
| CGCNN# of train data=2041, Unit=log(GPa)2017.10 | — | 0.054 | — | — | |
| CGCNNElements=87, Training structures=20412018.12 | — | — | — | 0.054 | |
| DFT# of train data=2041, Unit=log(GPa)2017.10 | — | — | 0.05 | — | |
| MEGNetElements=89, Training structures=46642018.12 | — | — | — | 0.05 |