Pinned Repositories
bf_auger
First-principles Auger calculations
DEXTra.jl
Path optimizaiton for decentralized exchanges written in Julia
indoor-location-20
helper script for kaggle competition
atomate2
atomate2 is a library of computational materials science workflows
crystaltoolkit
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
maggma
MongoDB aggregation machine
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.
pymatgen-analysis-defects
Defect analysis modules for pymatgen
pyrho
jmmshn's Repositories
jmmshn/DEXTra.jl
Path optimizaiton for decentralized exchanges written in Julia
jmmshn/api
[WIP] New API for Materials Project
jmmshn/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
jmmshn/atomate2
atomate2 is a library of computational materials science workflows
jmmshn/crystaltoolkit
Materials Project + Dash = Mash, a suite of UI components for rendering Materials Project data using plot.ly's Dash framework
jmmshn/custodian
A simple, robust and flexible just-in-time job management framework in Python.
jmmshn/dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
jmmshn/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
jmmshn/fireworks
The Fireworks Workflow Management Repo.
jmmshn/foundation
jmmshn/jmmshn
jmmshn/jobflow
jobflow is a library for writing computational workflows.
jmmshn/jobflow-remote
jobflow-remote is a Python package to run jobflow workflows on remote resources.
jmmshn/KROGER
Program for computing full and partial equilibria of point defects in solids
jmmshn/maggma
MongoDB aggregation machine
jmmshn/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.
jmmshn/mp_bat_howard
jmmshn/NewPkg.jl
jmmshn/nonrad
Implementation for computing nonradiative recombination rates in semiconductors
jmmshn/public-docs
The latest documentation for the Materials Project.
jmmshn/pycdt
jmmshn/pyjulia_skeleton
test
jmmshn/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.
jmmshn/pymatgen-diffusion
This add-on to pymatgen provides tools for analyzing diffusion in materials.
jmmshn/pyrho-1
jmmshn/recipe_book
A collection of cooking recipes with absolutely no short stories for validation
jmmshn/run_defects
Analysis code to drive MS Defects project
jmmshn/smart-order-router
jmmshn/vacation_router
jmmshn/vise
VASP Integrated Supporting Environment