| molecular-property-prediction-on-qm8 | D-MPNN | #2 | MAE: 0.0190 |
| molecular-property-prediction-on-qm9 | D-MPNN | #2 | MAE: 0.00814 |
| molecular-property-prediction-on-lipophilicity | D-MPNN | #3 | RMSE: 0.683 |
| molecular-property-prediction-on-toxcast | D-MPNN | #4 | ROC-AUC: 65.5 |
| molecular-property-prediction-on-clintox | D-MPNN | #6 | ROC-AUC: 90.6 |
| molecular-property-prediction-on-qm7 | D-MPNN | #6 | MAE: 103.5 |
| molecular-property-prediction-on-tox21 | D-MPNN | #9 | ROC-AUC: 75.9 |
| molecular-property-prediction-on-bace | D-MPNN | #10 | ROC-AUC: 80.9 |
| molecular-property-prediction-on-sider | D-MPNN | #14 | ROC-AUC: 57.0 |
| molecular-property-prediction-on-freesolv | D-MPNN | #16 | RMSE: 2.082 |
| molecular-property-prediction-on-bbbp | D-MPNN | #17 | ROC-AUC: 71.0 |
| molecular-property-prediction-on-esol | D-MPNN | #19 | RMSE: 1.050 |