TDC.Pgp_Broccatelli Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.Pgp_Broccatelli % 1,212 Binary AUROC Scaffold

Leaderboard

Rank Model Contact Link #Params AUROC
1 MapLight + GNN Jim Notwell Github, Paper N/A 0.938 ± 0.002
2 ZairaChem Gemma Turon Github, Paper N/A 0.935 ± 0.006
3 ChemFM Feiyang Cai Github, Paper 1.6M 0.931 ± 0.003
4 MapLight Jim Notwell Github, Paper N/A 0.93 ± 0.002
5 SimGCN Suman Kalyan Bera Github, Paper 1,103,000 0.929 ± 0.01
6 AttrMasking Kexin Huang Github, Paper 2,067,053 0.929 ± 0.006
7 CFA Nan Jiang Github, Paper N/A 0.928 ± 0.008
8 ContextPred Kexin Huang Github, Paper 2,067,053 0.923 ± 0.005
9 DeepMol (AutoML) DeepMol Team Github, Paper N/A 0.922 ± 0.0
10 RDKit2D + MLP (DeepPurpose) Kexin Huang Github, Paper 633,409 0.918 ± 0.007
11 CNN (DeepPurpose) Kexin Huang Github, Paper 226,625 0.908 ± 0.012
12 NeuralFP Kexin Huang Github, Paper 480,193 0.902 ± 0.02