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algorithm-on-coursera

atomate2

atomate2 is a library of computational materials science workflows

cppprimernotes

My reading notes of C++ Primer, 5th Edition

elph-impl-paper-repository

The source code, results and post-processing scripts for my paper: https://doi.org/10.1021/acs.jctc.1c00605 (See also https://arxiv.org/abs/2106.10373)

emmet

Be a master builder of databases of material properties. Avoid the Kragle.

essentialcpp

This repository contains the codes that I wrote when I was reading Essential C++ by Standley B. Lippman. Only some of the lectures and exercises are implemented.

matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

stanford-ml-on-coursera

Assignments of Andrew Ng's Machine Learning Class on Coursera

terminator-paper-repository

The source code, results and post-processing scripts for my paper: https://dx.doi.org/10.1063/1.5126214 (See also https://arxiv.org/abs/1911.04637)

threeeasypieces