rkingsbury
I'm an engineer, and I like to use modern computing tools to enhance my research on water and energy process technologies.
Princeton UniversityPrinceton, NJ
Pinned Repositories
pyEQL
A Python library for solution chemistry
api
New API for Materials Project
membrane-toolkit
Python tools for membrane science
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.
rkingsbury's Repositories
rkingsbury/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.
rkingsbury/membrane-toolkit
Python tools for membrane science
rkingsbury/api
New API for Materials Project
rkingsbury/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
rkingsbury/atomate2
atomate2 is a library of computational materials science workflows
rkingsbury/custodian
A simple, robust and flexible just-in-time job management framework in Python.
rkingsbury/docs
Materials Project Documentation
rkingsbury/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
rkingsbury/foundation
MP Software foundation
rkingsbury/GuthrieSolv
Experimental small molecule hydration free energy dataset
rkingsbury/handbook
Persson Group Handbook
rkingsbury/hugo-academic
📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!
rkingsbury/maggma
MongoDB aggregation machine
rkingsbury/materializedGhost
A Ghost Theme based on Materialize Framework
rkingsbury/matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
rkingsbury/matminer
Data mining for materials science
rkingsbury/mdgo
A codebase for classical molecular dynamics (MD) simulation setup and results analysis.
rkingsbury/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.
rkingsbury/MPContribs
Platform for materials scientists to contribute and disseminate their materials data through Materials Project
rkingsbury/nawi21_fall_python_demo
Python demo notebook for the Fall 2021 NAWI Unconference session
rkingsbury/personal-website
rkingsbury/phoronix-test-suite
The Phoronix Test Suite open-source, cross-platform automated testing/benchmarking software.
rkingsbury/pint
Operate and manipulate physical quantities in Python
rkingsbury/pymatgen-io-openmm
A Pymatgen IO module for setting up OpenMM simulations.
rkingsbury/rubicon
Workflow for Electrolyte Genome Project.
rkingsbury/workshop
The Materials Project Workshop Curriculum