Alanine Dipeptide
Benchmarks
TaskDatasetSOTA resultTrendResults
Alanine-Dipeptide
0.058PMF Squared Error
36
Alanine dipeptide (ALDP)
0.209E-W2
12
Alanine dipeptide d = 45 (750k frames)
0.753Correlation |r(psi)|
10
Alanine Dipeptide
-15.95Min Energy
9
alanine dipeptide
2.74Q Value
8
Alanine Dipeptide
7.92EPD
8
Alanine Dipeptide (test)
0.84Total Time (h)
7
Alanine dipeptide (test)
0.002KLD
7
alanine dipeptide (ADP) (test)
0.089W1
6
Alanine Dipeptide (ALA-2)
0.097ESS
5
Alanine Dipeptide 300K
0.517Rama-KL
5
Alanine Dipeptide (ALDP) (val)
-179.5ELBO
5
Alanine dipeptide (test)
0.006IID JS Divergence
5
alanine dipeptide
0.02KL Divergence (phi)
5
Alanine Dipeptide d = 60
214.358NLL
5
Alanine Dipeptide d=60 (test)
5Target Evaluations
5
Alanine dipeptide Heavy Atom resolution
0.008JS Divergence
5
Alanine Dipeptide
0.031JSD (ψ Angle)
4
Alanine Dipeptide Cartesian coordinates 300K
3.38Lambda K-hat
4
Alanine Dipeptide (ALA2) d = 66
0.068DJS (phi, psi)
4
Alanine dipeptide
7.65Total Time
4
Alanine dipeptide Core Beta resolution
0.008JS Divergence
4
Alanine Dipeptide
0.059Ram-T-W2
3
Alanine Dipeptide (ALDP-imp vs ALDP-vac) solvation T = 300K
—Primary metric
0
Alanine dipeptide semi-empirical force field
—Primary metric
0