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Benchmarks
Atom type generation on MPTS-52
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84.25
Comp. Accuracy
MCFlow-L
81.9932
82.5791
83.165
83.7509
Feb 23, 2026
Comp. Accuracy
Misclassification Rate
Updated 1mo ago
Evaluation Results
Method
Method
Links
Comp. Accuracy
Misclassification Rate
MCFlow-L
Model size=Large, Samp...
2026.02
84.25
7.2
MCFlow-B
Model size=Base, Sampl...
2026.02
84.17
5.72
MCFlow-L
Model size=Large, Samp...
2026.02
83.67
1.24
MCFlow-B
Model size=Base, Sampl...
2026.02
83.56
1.2
MCFlow-S
Model size=Small, Samp...
2026.02
83.22
7.22
MCFlow-S
Model size=Small, Samp...
2026.02
83.14
1.01
CGCNN
Type=Deterministic bas...
2026.02
82.08
3.5
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