Materials Project
Benchmarks
TaskDatasetSOTA resultTrendResults
Materials Project (MP)
0.015Formation Energy MAE
22
Materials Project (test)
0.019MAE (eV/atom)
20
Materials Project (test)
0.204MAE (eV)
18
Materials Project (test)
0.065MAE (log10 GPa)
17
Materials Project (test)
17.07MAE Formation Energy (meV/atom)
12
Materials Project (test)
0.197Total Energy MAE (eV/atom)
9
Materials Project (test)
0.043MAE (log GPa)
8
Materials Project (MP)
73AUC
7
Materials Project
0.124RMSE
7
Materials Project 2021.05 (test)
0.028Energy (eV/atom)
7
Materials Project 2021.05 (test)
81.2Metal Precision
6
Materials Project 69K crystals (test)
188.78MAE
3
Materials Project
94.92Structural Score
3
Materials Project (MP)
4.39MAE
2
Materials Project crystals (Single split)
0.034R2 (Geometry)
2
Materials Project crystals
0.034R2
2
Materials Project crystals
0.18R2 (Geometry)
2
Materials Project crystals (Single split)
0.206R2 (Geometry)
2
Materials Project (test)
80Accuracy (Metal)
2
Materials Project Ternary (test)
841Positive Count (N+)
1
Materials Project Binary (test)
256Count Saved Iterations
1
Materials Project Binary (train)
361N+ Count
1
Materials Project Unary (train)
32Count Positive Savings
1
Materials Project (test)
0.03MAE
1
Materials Project (test)
0.363MAE (Model)
1