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Benchmarks
Structure-to-Structure Prediction on Revised MD17
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8.88
Azobenzene Prediction Error
ATOM
8.8768
8.8984
8.92
8.9416
Oct 7, 2025
Azobenzene Prediction Error
Ethanol Prediction Error
Malonaldehyde Prediction Error
Naphthalene Prediction Error
Paracetamol Prediction Error
Salicylic Prediction Error
Toluene Prediction Error
Uracil Prediction Error
Updated 1mo ago
Evaluation Results
Method
Method
Links
Azobenzene Prediction Error
Ethanol Prediction Error
Malonaldehyde Prediction Error
Naphthalene Prediction Error
Paracetamol Prediction Error
Salicylic Prediction Error
Toluene Prediction Error
Uracil Prediction Error
ATOM
sampling=final frame,...
2025.10
8.88
23.49
40.29
1.36
30.12
1.03
28.56
0.86
EGNO
sampling=final frame,...
2025.10
8.96
23.26
40.11
1.42
28.08
1.06
28.28
0.88
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