Pinned Repositories
NanoParticleTools
RNMC
maggma
MongoDB aggregation machine
mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
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.
aimd
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
crystaltoolkit
Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.
custodian
A simple, robust and flexible just-in-time job management framework in Python.
fireworks
The Fireworks Workflow Management Repo.
sivonxay's Repositories
sivonxay/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
sivonxay/aimd
sivonxay/crystaltoolkit
Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.
sivonxay/custodian
A simple, robust and flexible just-in-time job management framework in Python.
sivonxay/fireworks
The Fireworks Workflow Management Repo.
sivonxay/handbook
Persson Group Handbook
sivonxay/mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and MatMethods.
sivonxay/HiPRGen
sivonxay/jobflow
jobflow is a library for writing computational workflows.
sivonxay/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
sivonxay/maggma
MongoDB aggregation machine
sivonxay/matminer
data mining for Materials Science
sivonxay/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
sivonxay/mp_wiki_docs
Materials Project Documentation
sivonxay/MyTargets
Android app, which helps archers keep track of their training progress
sivonxay/NanoParticleTools
sivonxay/NextStepRc-2.18
NextStepRC : Build you DIY RC transmiter with a mega2560
sivonxay/NPMC
sivonxay/OpenGround
frsky compatible opensource firmware for the flysky fs-i6s
sivonxay/pbdl-book
Welcome to the Physics-based Deep Learning Book (v0.2)
sivonxay/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.
sivonxay/pymatgen-db
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
sivonxay/pytorch_geometric
Graph Neural Network Library for PyTorch
sivonxay/RNMC
sivonxay/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
sivonxay/workshop
The Materials Project Workshop Curriculum