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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: mit
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: Matbench mp gap
----
-### Cite this dataset  
-Dunn, A., Wang, Q., Ganose, A., Dopp, D., and Jain, A. _Matbench mp gap_. ColabFit, 2024. https://doi.org/10.60732/fb4d895d
-  ### View on the ColabFit Exchange  
-https://materials.colabfit.org/id/DS_6lq2f26dluql_0  
-# Dataset  Name  
-Matbench mp gap  
-### Description  
-The Matbench_mp_gap dataset is a Matbench v0.1 test dataset for predicting DFT PBE band gap from structure, adapted from the Materials Project database. Entries having a formation energy (or energy above the convex hull) greater than 150meV and those containing noble gases have been removed. Retrieved April 2, 2019. Refer to the Automatminer/Matbench publication for more details. This dataset contains band gap as calculated by PBE DFT from the Materials Project, in eV. Matbench is an automated leaderboard for benchmarking state of the art ML algorithms predicting a diverse range of solid materials' properties. It is hosted and maintained by the Materials Project.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Alexander Dunn, Qi Wang, Alex Ganose, Daniel Dopp, Anubhav Jain  
-### Publication  
-https://doi.org/10.1039/C2EE22341D  
-### Original data link 
-https://matbench.materialsproject.org/  
-### License  
-MIT  
-### Number of unique molecular configurations  
-106113  
-### Number of atoms  
-3184984  
-### Elements included  
-Cu, Li, Mn, O, P, B, Ho, Ni, Co, Er, Ir, Pr, Y, As, K, Sn, W, F, Fe, N, Nd, Se, V, Ag, Pb, Tm, Cr, Ga, Pt, In, Rh, U, Ca, Tl, Lu, Mg, Zn, Au, Ru, Al, Pd, C, Ge, H, Cl, Br, Rb, Cs, Ti, Ba, Te, Pm, Zr, Hg, I, Sb, S, Si, Cd, Sr, Pa, Bi, Dy, Gd, Re, La, Nb, Sm, Ta, Na, Tb, Mo, Yb, Sc, Ac, Be, Hf, Os, Np, Th, Eu, Pu, Ce, Tc  
-### Properties included  
-atomic forces, electronic band gap, cauchy stress