Loading README.md +2 −0 Original line number Diff line number Diff line Loading @@ -265,12 +265,14 @@ Scaffold splitting | |MT-NN regression |Scaffold |0.484 |0.361 | |gdb7 |MT-NN regression |Index |0.994 |0.010 | | |MT-NN regression |Random |0.860 |0.773 | | |MT-NN regression |User-defined|0.996 |0.996 | |kaggle |MT-NN regression |User-defined|0.748 |0.452 | |Dataset |Model |Splitting |Train score/MAE(kcal/mol)|Valid score/MAE(kcal/mol)| |----------------|--------------------|------------|-------------------------|-------------------------| |gdb7 |MT-NN regression |Index |18.3 |172.0 | | |MT-NN regression |Random |44.3 |59.1 | | |MT-NN regression |User-defined|9.0 |9.5 | * General features Loading Loading
README.md +2 −0 Original line number Diff line number Diff line Loading @@ -265,12 +265,14 @@ Scaffold splitting | |MT-NN regression |Scaffold |0.484 |0.361 | |gdb7 |MT-NN regression |Index |0.994 |0.010 | | |MT-NN regression |Random |0.860 |0.773 | | |MT-NN regression |User-defined|0.996 |0.996 | |kaggle |MT-NN regression |User-defined|0.748 |0.452 | |Dataset |Model |Splitting |Train score/MAE(kcal/mol)|Valid score/MAE(kcal/mol)| |----------------|--------------------|------------|-------------------------|-------------------------| |gdb7 |MT-NN regression |Index |18.3 |172.0 | | |MT-NN regression |Random |44.3 |59.1 | | |MT-NN regression |User-defined|9.0 |9.5 | * General features Loading
