Matminer can turn materials objects - for example, a composition such as “Fe3O4” - into arrays of numbers representing things like average electronegativity or difference in ionic radii of the substituent elements. Matminer also contains sophisticated crystal structure and site featurizers as well as featurizers for complex materials data such as band structures and density of states.
Ward, L., Dunn, A., Faghaninia, A., Zimmermann, N. E. R., Bajaj, S., Wang, Q., Montoya, J. H., Chen, J., Bystrom, K., Dylla, M., Chard, K., Asta, M., Persson, K., Snyder, G. J., Foster, I., Jain, A., Matminer: An open source toolkit for materials data mining. Comput. Mater. Sci. 152, 60-69 (2018).
Python, Library, Data Mining, Machine Learning,
Curator: eowre