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Centered the SingleTask and MultiTask
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docs/baseline.md

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@@ -6,7 +6,7 @@ One can observe that the smaller datasets (`Zinc12k` and `Tox21`) beneficiate fr
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| Dataset | Model | MAE ↓ | Pearson ↑ | R² ↑ | MAE ↓ | Pearson ↑ | R² ↑ |
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|-----------|-------|-----------|-----------|-----------|---------|-----------|---------|
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| | <td colspan="2">Singletask model</td> | <td colspan="2">Multitask model</td> |
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| | <th colspan="3" style="text-align: center;">Single-Task Model</th> <th colspan="3" style="text-align: center;">Multi-Task Model</th> |
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| <hi> | <hi> | <hi> | <hi> | <hi> | <hi> | <hi> | <hi> |
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| **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 |
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| | 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 |
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| | | BCE ↓ | AUROC ↑ | AP ↑ | BCE ↓ | AUROC ↑ | AP ↑ |
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|-----------|-------|-----------|-----------|-----------|---------|-----------|---------|
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| | <td colspan="2">Singletask model</td> | <td colspan="2">Multitask model</td> |
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| | <th colspan="3" style="text-align: center;">Single-Task Model</th> <th colspan="3" style="text-align: center;">Multi-Task Model</th> |
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| <hi> | <hi> | <hi> | <hi> | <hi> | <hi> | <hi> | <hi> |
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| **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 |
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| | 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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