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expt_gap

Name: expt_gap
Published: 2019-09-04T04:49:02+00:00
License: https://opensource.org/licenses/MIT
Keywords: matbench, automatminer, benchmark, machine learning, band gap, experimental, Theory and Design of Materials, Knowledge Representation and Machine Learning

dataset

posted on 2019-09-04, 04:49 authored by Hacking MaterialsHacking Materials

Matbench v0.1 test dataset for predicting experimental band gap from composition alone. Retrieved from Zhuo et al. supplementary information. Deduplicated according to composition, removing compositions with reported band gaps spanning more than a 0.1eV range; remaining compositions were assigned values based on the closest experimental value to the mean experimental value for that composition among all reports.

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matbench automatminer benchmark machine learning band gap experimental Theory and Design of Materials Knowledge Representation and Machine Learning

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MIT

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