Our new X account is live! Follow @wizwand_team for updates
Home
/
Benchmarks
Force Prediction on MD17 Salicylic acid
Loading...
0.03
MAE (kcal/mol/Å)
GDML
-0.0028
0.2186
0.44
0.6614
Feb 22, 2019
Oct 21, 2019
Jun 19, 2020
Feb 16, 2021
Oct 15, 2021
Jun 14, 2022
Feb 11, 2023
MAE (kcal/mol/Å)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (kcal/mol/Å)
GDML
Training Supervision=f...
2019.02
0.03
PhysNet-ens5
Training Supervision=e...
2019.02
0.03
PhysNet
Training Supervision=e...
2019.02
0.04
Allegro
2023.02
0.0669
MACE
2023.02
0.0715
2F-Dis.
k=2
2023.02
0.086
SchNet
Training Supervision=e...
2019.02
0.19
PaiNN
Training Supervision=f...
2021.02
0.195
PaiNN
Training Supervision=e...
2021.02
0.209
FCHL19
Training Supervision=e...
2021.02
0.221
NequIP
Training Supervision=f...
2021.02
0.238
sGDML
Training Supervision=f...
2021.02
0.28
PhysNet
Training Supervision=e...
2021.02
0.337
DimeNet
Training Supervision=e...
2021.02
0.374
SchNet
Training Supervision=e...
2021.02
0.85
Feedback
Search any
task
Search any
task