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pyiron developer

Username    pyiron
Date joined   Joined

25 projects

atomistics

Last released

Interfaces for atomistic simulation codes and workflows

pympipool

Last released

Scale serial and MPI-parallel python functions over hundreds of compute nodes all from within a jupyter notebook or serial python process.

pyiron-atomistics

Last released

An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.

structuretoolkit

Last released

build, analyse and visualise atomistic structures for materials science

pyiron-base

Last released

Core components of the pyiron integrated development environment (IDE) for computational materials science

pyiron-workflow

Last released

pyiron_workflow - Graph-and-node based workflow tools.

pylammpsmpi

Last released

Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook

pysqa

Last released

Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.

conda-subprocess

Last released

Run a subprocess in a different conda environment.

pyiron-snippets

Last released

pyiron_snippets - Short, dependency-free python snippets.

pyfileindex

Last released

pyfileindex - pythonic file system index

h5io-browser

Last released

Easy navigation and data storage for HDF5

pyiron-contrib

Last released

Repository for user-generated plugins to the pyiron IDE.

h5io

Last released

Python Objects Onto HDF5

ironflow

Last released

ironflow - A visual scripting interface for pyiron.

pyiron-ontology

Last released

pyiron_ontology - module extension to pyiron.

pyiron-potentialfit

Last released

Repository for user-generated plugins to the pyiron IDE.

pyiron-lammps

Last released

Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or interatomic potentials.

pyiron-continuum

Last released

Repository for user-generated plugins to the pyiron IDE.

pyiron-gpl

Last released

pyiron - an integrated development environment (IDE) for computational materials science.

pyiron-gui

Last released

Repository for GUI plugins to the pyiron IDE.

pyiron

Last released

pyiron - an integrated development environment (IDE) for computational materials science.

pyiron-experimental

Last released

Repository for experimental plugins to the pyiron IDE.

aproc

Last released

aproc - for asynchronous multiprocessing

structdbrest

Last released

REST API interface to atomistictools.org website

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