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mp_gap

Name: mp_gap
Published: 2019-08-10T00:30:28+00:00
License: https://opensource.org/licenses/MIT
Keywords: matbench, automatminer, machine learning, benchmark, materials science, band gap, materials project, Condensed Matter Physics, Knowledge Representation and Machine Learning, Theory and Design of Materials

dataset

posted on 2019-08-10, 00:30 authored by Hacking MaterialsHacking Materials

Matbench v0.1 test dataset for predicting DFT PBE band gap from structure. Adapted from Materials Project database. Removed entries having a formation energy (or energy above the convex hull) more than 150meV and those containing noble gases. Retrieved April 2, 2019.

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matbench automatminer machine learning benchmark materials science band gap materials project Condensed Matter Physics Knowledge Representation and Machine Learning Theory and Design of Materials

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MIT

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