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jdft2d

Name: jdft2d
Published: 2019-09-04T04:46:29+00:00
License: https://opensource.org/licenses/MIT
Keywords: matbench, automatminer, machine learning, benchmark, materials project, materials science, jarvisDFT, dft, exfoliation energy, Condensed Matter Physics, Knowledge Representation and Machine Learning, Theory and Design of Materials

dataset

posted on 2019-09-04, 04:46 authored by Hacking MaterialsHacking Materials

Matbench v0.1 test dataset for predicting exfoliation energies from crystal structure (computed with the OptB88vdW and TBmBJ functionals). Adapted from the JARVIS DFT database.

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matbench automatminer machine learning benchmark materials project materials science jarvisDFT dft exfoliation energy Condensed Matter Physics Knowledge Representation and Machine Learning Theory and Design of Materials

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MIT

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