Added example for the Voronoi features of Ward et al.

hackingmaterials / matminer_examples

A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code

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Added example for the Voronoi features of Ward et al. #17

Closed WardLT closed 6 years ago

WardLT commented 6 years ago

Adds an example using the Voronoi tessellation features of Ward et al. Uses the FLLA dataset to build and cross-validate a Random Forest model that predicts formation enthalpy given crystal structure.

computron commented 6 years ago

Thanks!