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lines changed Original file line number Diff line number Diff line change @@ -6,7 +6,7 @@ One can observe that the smaller datasets (`Zinc12k` and `Tox21`) beneficiate fr
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77| Dataset | Model | MAE ↓ | Pearson ↑ | R² ↑ | MAE ↓ | Pearson ↑ | R² ↑ |
88| -----------| -------| -----------| -----------| -----------| ---------| -----------| ---------|
9- | | <td colspan =" 2 " >Singletask model</ td > | < td colspan =" 2 " >Multitask model</ td > |
9+ | | <th colspan =" 3 " style = " text-align : center ; " >Single-Task Model</ th > < th colspan =" 3 " style = " text-align : center ; " >Multi-Task Model</ th > |
1010| <hi > | <hi > | <hi > | <hi > | <hi > | <hi > | <hi > | <hi > |
1111| ** QM9** | GCN | 0.102 ± 0.0003 | 0.958 ± 0.0007 | 0.920 ± 0.002 | 0.119 ± 0.01 | 0.955 ± 0.001 | 0.915 ± 0.001 |
1212| | GIN | 0.0976 ± 0.0006 | ** 0.959 ± 0.0002** | ** 0.922 ± 0.0004** | 0.117 ± 0.01 | 0.950 ± 0.002 | 0.908 ± 0.003 |
@@ -18,7 +18,7 @@ One can observe that the smaller datasets (`Zinc12k` and `Tox21`) beneficiate fr
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1919| | | BCE ↓ | AUROC ↑ | AP ↑ | BCE ↓ | AUROC ↑ | AP ↑ |
2020| -----------| -------| -----------| -----------| -----------| ---------| -----------| ---------|
21- | | <td colspan =" 2 " >Singletask model</ td > | < td colspan =" 2 " >Multitask model</ td > |
21+ | | <th colspan =" 3 " style = " text-align : center ; " >Single-Task Model</ th > < th colspan =" 3 " style = " text-align : center ; " >Multi-Task Model</ th > |
2222| <hi > | <hi > | <hi > | <hi > | <hi > | <hi > | <hi > | <hi > |
2323| ** Tox21** | GCN | 0.202 ± 0.005 | 0.773 ± 0.006 | 0.334 ± 0.03 | ** 0.176 ± 0.001** | ** 0.850 ± 0.006** | 0.446 ± 0.01 |
2424| | GIN | 0.200 ± 0.002 | 0.789 ± 0.009 | 0.350 ± 0.01 | 0.176 ± 0.001 | 0.841 ± 0.005 | 0.454 ± 0.009 |
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