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Benchmarks
Atomic Displacement Parameters Prediction on CSD refcode: ETIDEQ
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0.0021
MAE (Ų)
CartNet
0.001633
0.004921
0.00821
0.011499
Jan 30, 2025
MAE (Ų)
S12 (%)
IoU (%)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (Ų)
S12 (%)
IoU (%)
CartNet
Time (s)=~ 10^-2
2025.01
0.0021
0.0017
0.9231
DFT (Full Opt.)
Configuration=Full opt...
2025.01
0.0033
0.0049
0.8627
DFT (Vinet)
Configuration=Atomic r...
2025.01
0.0132
0.0309
0.5733
DFT (Fix Latt.)
Configuration=Atomic r...
2025.01
0.0143
0.0412
0.7075
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