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Multi-task Molecular Prediction on OGB-MOLTOX21 scaffold

0.3186RMSECCIN
0.3172480.3263740.33550.344626May 1, 2026

Evaluation results

MethodLinks
CCIN2026.050.3186
HGIN2026.050.3348
CWN2026.050.3349
GIN2026.050.3364
MSPN2026.050.3524