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Benchmarks
Transition Path Sampling on Alanine Dipeptide
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-15.95
Min Energy
Doob's Lagrangian
-45.6352
154.7399
355.115
555.4901
Oct 10, 2024
Min Energy
Evaluations Count
Max Energy
Updated 4d ago
Evaluation Results
Method
Method
Links
Min Energy
Evaluations Count
Max Energy
Doob's Lagrangian
Coordinate System=Inte...
2024.10
-15.95
-
-
Doob's Lagrangian
Coordinate System=Inte...
2024.10
-15.54
-
-
Doob's Lagrangian
Coordinate System=Inte...
2024.10
-14.67
-
-
MCMC
Path Length Type=varia...
2024.10
26.97
-
-
MCMC
Path Length Type=varia...
2024.10
52.37
-
-
MCMC*
Path Length Type=fixed...
2024.10
60.52
-
-
Doob's Lagrangian
Coordinate System=Cart...
2024.10
247.96
-
-
Doob's Lagrangian
Coordinate System=Cart...
2024.10
513.72
-
-
Doob's Lagrangian
Coordinate System=Cart...
2024.10
726.18
-
-
Lower Bound
Calculation=min_gamma...
2025.05
-
-
36.42
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