Our new X account is live! Follow @wizwand_team for updates
Home
/
Benchmarks
Molecular Property Prediction on MD17 Naphthalene
Loading...
0.061
MAE Forces (kcal/mol/Å)
ET
0.04024
0.18037
0.3205
0.46063
Feb 5, 2022
MAE Forces (kcal/mol/Å)
MAE Energy (kcal/mol)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE Forces (kcal/mol/Å)
MAE Energy (kcal/mol)
ET
Training Samples=1000,...
2022.02
0.061
0.085
PaiNN
Training Samples=1000
2022.02
0.077
0.116
NequIP
Training Samples=1000
2022.02
0.097
-
DimeNet
Training Samples=1000
2022.02
0.215
0.122
PhysNet
Training Samples=1000
2022.02
0.31
0.142
SchNet
Training Samples=1000
2022.02
0.58
0.16
Feedback
Search any
task
Search any
task
