Table 2 The test MAE, RMSE and R2 for each model
From: Force field-inspired transformer network assisted crystal density prediction for energetic materials
Models | MAE (g/cm3) | RMSE (g/cm3) | R2 |
|---|---|---|---|
RF | 0.0367 ± 0.0010 | 0.0514 ± 0.0019 | 0.8886 ± 0.0094 |
GATv2 | 0.0330 ± 0.0005 | 0.0466 ± 0.0041 | 0.9101 ± 0.0162 |
D-MPNNs | 0.0313 ± 0.0008 | 0.0463 ± 0.0049 | 0.9113 ± 0.0146 |
FFiNet | 0.0330 ± 0.0013 | 0.0479 ± 0.0037 | 0.9005 ± 0.0127 |
FFiTrNet | 0.0313 ± 0.0004 | 0.0448 ± 0.0022 | 0.9170 ± 0.0141 |