38 projects
pyiron-base
Core components of the pyiron integrated development environment (IDE) for computational materials science
pyiron-workflow
Graph-and-node based workflow tools.
pyiron-atomistics
An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.
atomistics
Interfaces for atomistic simulation codes and workflows
pyiron-potentialfit
Repository for user-generated plugins to the pyiron IDE.
pympipool
Scale serial and MPI-parallel python functions over hundreds of compute nodes all from within a jupyter notebook or serial python process.
pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
pyiron-lammps
Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or interatomic potentials.
h5io-browser
Easy navigation and data storage for HDF5
pyfileindex
pyfileindex - pythonic file system index
pyiron-continuum
Repository for user-generated plugins to the pyiron IDE.
pyiron-gpl
pyiron - an integrated development environment (IDE) for computational materials science.
structuretoolkit
build, analyse and visualise atomistic structures for materials science
pyiron-contrib
Repository for user-generated plugins to the pyiron IDE.
pyiron-gui
Repository for GUI plugins to the pyiron IDE.
aimsgb
aimsgb is a python library for generatng the atomic coordinates of periodic grain boundaries.Copyright © 2018 The Regents of the University of California.All Rights Reserved. See more in Copyright.
gmailsorter
Assign labels to emails in Google Mail based on their similarity to other emails assigned to the same label.
hippynn
The hippynn python package - a modular library for atomistic machine learning with pytorch
conda-subprocess
Run a subprocess in a different conda environment.
pyiron-ontology
pyiron_ontology - module extension to pyiron.
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
pyiron-experimental
Repository for experimental plugins to the pyiron IDE.
pymov2gif
Convert *.mov to *.gif
pygmailsorter
Assign labels to emails in Google Mail based on their similarity to other emails assigned to the same label.
architector
The architector python package - for 3D inorganometallic complex design.
pyauthenticator
Similar to the Google authenticator just written in python.
ironflow
ironflow - A visual scripting interface for pyiron.
pydatamail
pydatamail - a python module to apply data science principles to email processing
pydatamail-ml
pydatamail_ml - Machine Learning extension for pydatamail
pydatamail-google
Python interface to filter emails on Google Mail.
pycronserver
Cron server for python functions
email2pdf2
email2pdf2 is a Python script to convert emails to PDF.
pyimapsync
Transfer emails between multiple IMAP servers.
aproc
aproc - for asynchronous multiprocessing
structdbrest
REST API interface to atomistictools.org website
GB-code
A GB generation code
scisweeper
scisweeper - scientific parameter sweeper
