26 个项目
pyiron-dataclasses
Dataclasses for the pyiron workflow framework
pyiron-workflow
pyiron_workflow - Graph-and-node based workflow tools.
pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
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
h5io-browser
Easy navigation and data storage for HDF5
pyfileindex
pyfileindex - pythonic file system index
conda-subprocess
Run a subprocess in a different conda environment.
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
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-snippets
pyiron_snippets - Short, dependency-free python snippets.
pyiron-contrib
Repository for user-generated plugins to the pyiron IDE.
h5io
Python Objects Onto HDF5
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.
pyiron-continuum
Repository for user-generated plugins to the pyiron IDE.
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