Molecular Regression on ZINC small 12K
0.082MAECCIN
Evaluation Results
| Method | Links | |
|---|---|---|
| CCINedge features=w/i edge feats2026.05 | 0.082 | |
| MPSNedge features=w/i edge feats2026.05 | 0.094 | |
| I²-GNNedge features=w/i edge feats2026.05 | 0.095 | |
| GSNedge features=w/i edge feats, variant=row 12026.05 | 0.108 | |
| MGNNedge features=w/i edge feats2026.05 | 0.11 | |
| GSNedge features=w/i edge feats, variant=row 22026.05 | 0.115 | |
| CCINedge features=w/o edge feats2026.05 | 0.125 | |
| G3Nedge features=w/i edge feats2026.05 | 0.128 | |
| MPSNedge features=w/o edge feats2026.05 | 0.137 | |
| GSNedge features=w/o edge feats, variant=row 12026.05 | 0.139 | |
| GSNedge features=w/o edge feats, variant=row 22026.05 | 0.139 | |
| MGNNedge features=w/o edge feats2026.05 | 0.14 | |
| HIMPedge features=w/i edge feats2026.05 | 0.151 | |
| G3Nedge features=w/o edge feats2026.05 | 0.165 | |
| PNAedge features=w/i edge feats2026.05 | 0.188 | |
| TopoTuneedge features=w/i edge feats2026.05 | 0.191 | |
| TopoTuneedge features=w/o edge feats2026.05 | 0.247 | |
| GINedge features=w/i edge feats2026.05 | 0.252 | |
| PNAedge features=w/o edge feats2026.05 | 0.32 | |
| GINedge features=w/o edge feats2026.05 | 0.387 |