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 MapLight + GNN Jim Notwell GitHub, Paper N/A 0.713 ± 0.007
2 MapLight Jim Notwell GitHub, Paper N/A 0.707 ± 0.009
3 CFA Nan Jiang GitHub, Paper N/A 0.628 ± 0.023
4 Basic ML Nilavo Boral GitHub, Paper N/A 0.627 ± 0.010
5 Euclia ML model Euclia GitHub, Paper 50 0.609 ± 0.014
6 SimGCN Suman Kalyan Bera GitHub, Paper 1,103,000 0.582 ± 0.031
7 RDKit2D + MLP (DeepPurpose) Kexin Huang GitHub, Paper 633,409 0.561 ± 0.025
8 AttrMasking Kexin Huang GitHub, Paper 2,067,053 0.559 ± 0.019
9 MiniMol Blazej Banaszewski GitHub, Paper N/A 0.535 ± 0.027
10 DeepMol (AutoML) DeepMol team GitHub, Paper N/A 0.497 ± 0.011
11 Morgan + MLP (DeepPurpose) Kexin Huang GitHub, Paper 1,477,185 0.493 ± 0.011
12 Chemprop Kyle Swanson GitHub, Paper N/A 0.491 ± 0.046
13 ContextPred Kexin Huang GitHub, Paper 2,067,053 0.485 ± 0.092
14 ADMETrix Rohit Singh Yadav GitHub, Paper N/A 0.475 ± 0.022
15 GCN Kexin Huang GitHub, Paper 191,810 0.457 ± 0.050
16 Chemprop-RDKit Kyle Swanson GitHub, Paper N/A 0.389 ± 0.075
17 NeuralFP Kexin Huang GitHub, Paper 480,193 0.258 ± 0.162
18 AttentiveFP Kexin Huang GitHub, Paper 300,806 0.241 ± 0.145
19 CNN (DeepPurpose) Kexin Huang GitHub, Paper 226,625 0.226 ± 0.114

: The higher the better.