TDC.VDss_Lombardo Leaderboard

Dataset Summary

Dataset Unit Size Task Metric Dataset Split
TDC.VDss_Lombardo L/kg 1,130 Regression Spearman Scaffold

Leaderboard

Rank Model Contact Link #Params Spearman
1 XGBoost Hao Tian GitHub, Paper 29 0.627 ± 0.009
2 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.582 ± 0.031
3 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.561 ± 0.025
4 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.559 ± 0.019
5 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.493 ± 0.011
6 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.485 ± 0.092
7 GCN Kexin Huang GitHub, Paper 191,810 0.457 ± 0.050
8 NeuralFP Kexin Huang GitHub, Paper 480,193 0.258 ± 0.162
9 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.241 ± 0.145
10 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.226 ± 0.114

: The higher the better.