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feature_database.pkl.zip (253.92 MB)

feature database for MODNet

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posted on 2020-06-15, 08:51 authored by Pierre-Paul De BreuckPierre-Paul De Breuck
This file contains the database consisting of most materials from the MaterialsProject with a large set of corresponding ML features.

This file should first be unzipped, and the .pkl is then used for the featurization function in MODNet. (https://github.com/ppdebreuck/modnet)

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    Keywords

    Machine LearningMaterials ScienceFeaturesDescriptorsCrystal structuresCondensed Matter Modelling and Density Functional Theory

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    MIT

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