Skip to content

arunrajan2023/generate_elemental_features

Repository files navigation

Purpose:

Generate elemental features for given material (ex: MXenes) from given input data (ex: POSCAR) and elemental information (ex: atomic radius). Generated feature could be used as fingerprints to the machine learning model.

How does it work?

Before running the code, place your POSCAR files inside the "materials" folder. Run the python code.

About

To generate elemental features (given MXene structures)

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages