MD
Benchmarks
Task NameDataset NameSOTA ResultTrendResults
MD-3k Reverse subset
52.2ML-SRA
20
MD#4 (test)
15.31D-EER
20
MD #3
4D-EER
20
Md Dermoscopic source (train)
81.56Recall
16
MD (test)
83.55Accuracy
14
rMD17
2.1Aspirin MAE (meV)
10
MD22
1.245Force Error (kcal/mol/Å)
9
MD17
6.82S2S Prediction Error (Aspirin)
9
MD scenario
1.61Online Cost
7
MD
76.41Accuracy
7
rMD17 Azobenzene
5.4Energy MAE (meV)
5
MD 82 images (val)
86.71F1 Score
5
MD17 ethanol
68.6Avg Iteration Reduction
3
Revised MD17
8.38Azobenzene Deviation
2
MD 16 particles
5.78Rec MSE (10^-7)
2
MD 4 particles
23.41Rec MSE (10^-7)
2
rMD17 Aspirin + Uracil
1,468.7Joint FT (s)
1