Our new X account is live! Follow @wizwand_team for updates
Home
/
Benchmarks
Energy and Force Prediction on Water (test)
Loading...
15.7
MAE E (meV/at.)
MACE
14.416
23.083
31.75
40.417
May 30, 2023
MAE E (meV/at.)
MAE |f| (meV/Å)
MAE f (meV/Å)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE E (meV/at.)
MAE |f| (meV/Å)
MAE f (meV/Å)
MACE
2023.05
15.7
138
-
PET-1-ens
Ensemble=true, Test ro...
2023.05
16.8
128.1
113.6
PET-10-ens
Ensemble=true, Test ro...
2023.05
16.8
127.9
113.5
PET-ECSE-ens
Ensemble=true, ECSE=true
2023.05
16.8
128.5
114
TeaNet
2023.05
19.6
174
153
PaiNN
2023.05
22.9
237
208
SchNet
2023.05
33.6
283
247
NequIP
2023.05
47.8
199
175
Feedback
Search any
task
Search any
task