36 projects
pyiron-workflow-atomistics
A pyiron module for atomistic simulation workflows
structuretoolkit
build, analyse and visualise atomistic structures for materials science
pyiron-workflow-vasp
A VASP workflow integration package for pyiron
pyiron-workflow-lammps
A LAMMPS workflow integration package for pyiron
executorlib
Up-scale python functions for high performance computing (HPC) with executorlib.
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.
semantikon
semantikon - Ontological type system
pyiron-base
Core components of the pyiron integrated development environment (IDE) for computational materials science
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
atomistics
Interfaces for atomistic simulation codes and workflows
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
sphinx-parser
sphinx_parser - Your pyiron-like module.
flowrep
flowrep - Your premier tool for workflow representations
bagofholding
bagofholding - browsable, partially-reloadable serialization for pickleable python objects.
pyiron-dataclasses
Dataclasses for the pyiron workflow framework
pyiron-snippets
pyiron_snippets - Short, dependency-free python snippets.
conda-subprocess
Run a subprocess in a different conda environment.
pyiron-lammps
Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or interatomic potentials.
pyiron-vasp
Parser for the Vienna Ab initio Simulation Package (VASP)
pyironflow
react xyflow for pyiron
pyiron-potentialfit
Repository for user-generated plugins to the pyiron IDE.
pyiron-contrib
Repository for user-generated plugins to the pyiron IDE.
h5io
Python Objects Onto HDF5
pyiron-ontology
pyiron_ontology - module extension to pyiron.
pyiron-continuum
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-gpl
pyiron - an integrated development environment (IDE) for computational materials science.
pyiron-gui
Repository for GUI plugins to the pyiron IDE.
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
pyiron-experimental
Repository for experimental plugins to the pyiron IDE.
aproc
aproc - for asynchronous multiprocessing
structdbrest
REST API interface to atomistictools.org website
