35 projects
executorlib
Up-scale python functions for high performance computing (HPC) with executorlib.
bagofholding
bagofholding - browsable, partially-reloadable serialization for pickleable python objects.
semantikon
semantikon - Ontological type system
pyiron-dataclasses
Dataclasses for the pyiron workflow framework
h5io-browser
Easy navigation and data storage for HDF5
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)
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
pyfileindex
pyfileindex - pythonic file system index
flowrep
flowrep - Your premier tool for workflow representations
pyiron-atomistics
An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.
pyiron-base
Core components of the pyiron integrated development environment (IDE) for computational materials science
atomistics
Interfaces for atomistic simulation codes and workflows
sphinx-parser
sphinx_parser - Your pyiron-like module.
structuretoolkit
build, analyse and visualise atomistic structures for materials science
pyironflow
react xyflow for pyiron
pyiron-potentialfit
Repository for user-generated plugins to the pyiron IDE.
pyiron-workflow-lammps
A LAMMPS workflow integration package for pyiron
pyiron-workflow-atomistics
A pyiron module for atomistic simulation workflows
conda-subprocess
Run a subprocess in a different conda environment.
pyiron-workflow
pyiron_workflow - Graph-and-node based workflow tools.
pyiron-snippets
pyiron_snippets - Short, dependency-free python snippets.
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
