Pinned Repositories
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
crystaltoolkit
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
emmet
Be a master builder of databases of material properties. Avoid the Kragle.
mp-react-components
A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.
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.
homebrew-matsci
Scientific software useful for materials science for the Homebrew package manager
magnetic-topological-materials
Supplementary material for N. C. Frey, M. K. Horton, J. M. Munro, S. M. Griffin, K. A. Persson, and V. B. Shenoy, https://arxiv.org/abs/2006.01075 1 (2020).
magnetic-topological-materials
Supplementary material for N. C. Frey, M. K. Horton, J. M. Munro, S. M. Griffin, K. A. Persson, and V. B. Shenoy, Science Advances 09 Dec 2020: Vol. 6, no. 50, eabd1076 DOI: 10.1126/sciadv.abd1076
mkhorton's Repositories
mkhorton/magnetic-topological-materials
Supplementary material for N. C. Frey, M. K. Horton, J. M. Munro, S. M. Griffin, K. A. Persson, and V. B. Shenoy, https://arxiv.org/abs/2006.01075 1 (2020).
mkhorton/optimade-python-tools
Tools for implementing and consuming OPTIMADE APIs in Python
mkhorton/atomate
This is a development fork of atomate, please do not use! Check out the hackingmaterials repo for the officially supported atomate.
mkhorton/atomate2
atomate2 is a library of computational materials science workflows
mkhorton/CAMD
Agent-based sequential learning software for materials discovery
mkhorton/cola-colab
mkhorton/custodian
A simple, robust and flexible just-in-time job management framework in Python.
mkhorton/dash-embed
make a dash application embeddable
mkhorton/dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
mkhorton/github-stats
mkhorton/IFermi
Fermi surface plotting tools
mkhorton/irrep
mkhorton/maggma
MongoDB aggregation machine
mkhorton/matador
⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.
mkhorton/matminer
data mining for Materials Science
mkhorton/matten
mkhorton/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
mkhorton/mkhorton
mkhorton/monty
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
mkhorton/optimade-tutorial-exercises
mkhorton/plato
Efficient visualization of particle data supporting several rendering engines.
mkhorton/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
mkhorton/pymatgen-diffusion
This add-on to pymatgen provides tools for analyzing diffusion in materials.
mkhorton/pysotropy
python interface to isotropy
mkhorton/rkurchin.github.io
Code to maintain my personal website.
mkhorton/robocrystallographer
Automatic generation of crystal structure descriptions.
mkhorton/sketchmap
Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular
mkhorton/spglib
C library for finding and handling crystal symmetries
mkhorton/TB2J
a python package for computing magnetic interaction parameters
mkhorton/unyt
Handle, manipulate, and convert data with units in Python