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ResearchFormerly WizWand

Molecular Regression on ZINC small 12K

0.082MAECCIN
0.06980.152150.23450.31685May 1, 2026
Updated 6mo ago

Evaluation results

MethodLinks
CCINedge features=w/i edge feats2026.050.082
MPSNedge features=w/i edge feats2026.050.094
I²-GNNedge features=w/i edge feats2026.050.095
GSNedge features=w/i edge feats, variant=row 12026.050.108
MGNNedge features=w/i edge feats2026.050.11
GSNedge features=w/i edge feats, variant=row 22026.050.115
CCINedge features=w/o edge feats2026.050.125
G3Nedge features=w/i edge feats2026.050.128
MPSNedge features=w/o edge feats2026.050.137
GSNedge features=w/o edge feats, variant=row 12026.050.139
GSNedge features=w/o edge feats, variant=row 22026.050.139
MGNNedge features=w/o edge feats2026.050.14
HIMPedge features=w/i edge feats2026.050.151
G3Nedge features=w/o edge feats2026.050.165
PNAedge features=w/i edge feats2026.050.188
TopoTuneedge features=w/i edge feats2026.050.191
TopoTuneedge features=w/o edge feats2026.050.247
GINedge features=w/i edge feats2026.050.252
PNAedge features=w/o edge feats2026.050.32
GINedge features=w/o edge feats2026.050.387