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DATASET
experimental_band_gap_test_set
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experimental_band_gap_training_set
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combined_DFT_Band_Gap
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Ensemble Band Gap Data
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posted on 2019-06-19, 15:21
authored by
Steven Kauwe
Steven Kauwe
,
Taylor D. Sparks
,
Taylor Welker
Data used for the publication "Extracting knowledge from DFT: Experimental band gap predictions through ensemble learning". This data allows anyone to test their own methods against the same train test split leading to comparable results.
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Categories
Optical properties of materials
Inorganic materials (incl. nanomaterials)
Macromolecular materials
Structure and dynamics of materials
Keywords
ensemble learning
band gap
benchmark data
deep learning
machine learning
Optical Properties of Materials
Chemical Characterisation of Materials
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CC BY 4.0
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