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Benchmarks
Trajectory Inference on MD17 Delta T = 10000
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2.554
Aspirin Error
ATOM
-3.08036
34.95157
72.9835
111.01543
Oct 7, 2025
Aspirin Error
Ethanol Error
Malonaldehyde Error
Naphthalene Error
Salicylic Error
Toluene Error
Uracil Error
Updated 1mo ago
Evaluation Results
Method
Method
Links
Aspirin Error
Ethanol Error
Malonaldehyde Error
Naphthalene Error
Salicylic Error
Toluene Error
Uracil Error
ATOM
Precision=float32
2025.10
2.554
1.002
1.634
1.098
1.116
0.964
0.99
Lennard-Jones
Precision=float32
2025.10
7.797
5.533
5.167
7.453
6.721
6.477
5.921
AMBER
Precision=float32
2025.10
133.9
128.385
121.095
121.607
120.319
120.8
-
MACE-OFF
Precision=float32
2025.10
143.413
142.569
136.38
140.288
140.103
140.372
141.598
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