42 projects
pyiron-workflow
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.
pyiron-continuum
Repository for user-generated plugins to the pyiron IDE.
pyiron-base
Core components of the pyiron integrated development environment (IDE) for computational materials science
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
executorlib
Scale serial and MPI-parallel python functions over hundreds of compute nodes all from within a jupyter notebook or serial python process.
pyironflow
react xyflow for pyiron
pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
pyfileindex
pyfileindex - pythonic file system index
h5io-browser
Easy navigation and data storage for HDF5
pyiron-dataclasses
Dataclasses for the pyiron workflow framework
conda-subprocess
Run a subprocess in a different conda environment.
pyiron-potentialfit
Repository for user-generated plugins to the pyiron IDE.
pyiron-lammps
Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or interatomic potentials.
atomistics
Interfaces for atomistic simulation codes and workflows
structuretoolkit
build, analyse and visualise atomistic structures for materials science
pyiron-contrib
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.
ironflow
ironflow - A visual scripting interface for pyiron.
pyiron-ontology
pyiron_ontology - module extension to pyiron.
executorlib-core
Library to develop your own concurrent.futures.Executor classes.
pyiron-gpl
pyiron - an integrated development environment (IDE) for computational materials science.
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
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.
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
