TDC.AMES Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.AMES % 7,255 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 ZairaChem Gemma Turon Github, Paper N/A 0.871 ± 0.002
2 MapLight + GNN Jim Notwell Github, Paper N/A 0.869 ± 0.002
3 MapLight Jim Notwell Github, Paper N/A 0.868 ± 0.002
4 ChemFM Feiyang Cai Github, Paper 6.5M 0.854 ± 0.007
5 CFA Nan Jiang Github, Paper N/A 0.852 ± 0.005
6 Chemprop-RDKit Kyle Swanson Github, Paper N/A 0.85 ± 0.004
7 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.847 ± 0.007
8 CMPNN Devansh Amin Github, Paper 3.0M 0.843 ± 0.009
9 Chemprop Kyle Swanson Github, Paper N/A 0.842 ± 0.014
10 AttrMasking Kexin Huang Github, Paper 2,067,053 0.842 ± 0.008
11 ContextPred Kexin Huang Github, Paper 2,067,053 0.837 ± 0.009
12 NeuralFP Kexin Huang Github, Paper 480,193 0.823 ± 0.006
13 RDKit2D + MLP (DeepPurpose) Kexin Huang Github, Paper 633,409 0.823 ± 0.011