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DScribe is a python package for creating machine learning descriptors for atomistic systems.

Home Page: https://singroup.github.io/dscribe/

License: Apache License 2.0

Python 70.24% Shell 0.25% C++ 29.51%

dscribe's Introduction

Hi there 👋

I'm a PhD student in the MolMD group at Stony Brook University looking into how data can be used to expedite materials design and discovery for energy storage applications. For this, I'm also developing new computational tools for predicting and optimizing materials properties.

dscribe's People

Contributors

aki78 avatar anjohan avatar fullmetalfelix avatar jan-janssen avatar lauri-codes avatar marchunter avatar yashasvi-ranawat avatar

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