Sunday, 09 December 2018

Logan Ward et al. "Matminer: An open source toolkit for materials data mining." Computational Materials Science. 152, 60 (2018).


Editor’s comment: This paper explained the Python package for data mining the properties of materials called matminer. Using matminer, we can obtain materials data from various databases, transform complex materials attributes into numerical descriptors, perform data mining, and plot the results. In particular, descriptor generator covers many descriptors obtained from bandstructure, composition, structure, etc. I think it is useful tool to easily conduct materials informatics researches.

Abstract: As materials data sets grow in size and scope, the role of data mining and statistical learning methods to analyze these materials data sets and build predictive models is becoming more important. This manuscript introduces matminer, an open-source, Python-based software platform to facilitate data-driven methods of analyzing and predicting materials properties. Matminer provides modules for retrieving large data sets from external databases such as the Materials Project, Citrination, Materials Data Facility, and Materials Platform for Data Science. It also provides implementations for an extensive library of feature extraction routines developed by the materials community, with 47 featurization classes that can generate thousands of individual descriptors and combine them into mathematical functions. Finally, matminer provides a visualization module for producing interactive, shareable plots. These functions are designed in a way that integrates closely with machine learning and data analysis packages already developed and in use by the Python data science community. We explain the structure and logic of matminer, provide a description of its various modules, and showcase several examples of how matminer can be used to collect data, reproduce data mining studies reported in the literature, and test new methodologies.

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