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README.md

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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: cc-by-4.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: sAlex validation
----
-### Cite this dataset  
-Barroso-Luque, L., Shuaibi, M., Fu, X., Wood, B. M., Dzamba, M., Gao, M., Rizvi, A., Zitnick, C. L., and Ulissi, Z. W. _sAlex validation_. ColabFit, 2024. https://doi.org/10.60732/1c59d4ac
-  ### View on the ColabFit Exchange  
-https://materials.colabfit.org/id/DS_2oy3ipc8qxa7_0  
-# Dataset  Name  
-sAlex validation  
-### Description  
-The validation split of sAlex. sAlex is a subsample of the Alexandria dataset that was used to fine tune the OMat24 (Open Materials 2024) models. From the site: sAlex was created by removing structures matched in WBM and only sampling structure along a trajectory with an energy difference greater than 10 meV/atom.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Luis Barroso-Luque, Muhammed Shuaibi, Xiang Fu, Brandon M. Wood, Misko Dzamba, Meng Gao, Ammar Rizvi, C. Lawrence Zitnick, Zachary W. Ulissi  
-### Publication  
-https://doi.org/10.48550/arXiv.2410.12771  
-### Original data link 
-https://fair-chem.github.io/core/datasets/omat24.html  
-### License  
-CC-BY-4.0  
-### Number of unique molecular configurations  
-547885  
-### Number of atoms  
-5670890  
-### Elements included  
-Ac, Ag, Al, As, Au, B, Ba, Be, Bi, Br, C, Ca, Cd, Ce, Cl, Co, Cr, Cs, Cu, Dy, Er, Eu, F, Fe, Ga, Gd, Ge, H, He, Hf, Hg, Ho, I, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pm, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Xe, Y, Yb, Zn, Zr  
-### Properties included  
-energy, atomic forces, cauchy stress