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52 public repositories
matching this topic...
up-scale python functions for high performance computing
Updated
May 30, 2024
Python
build, analyse and visualise atomistic structures for materials science
Updated
May 29, 2024
Python
Ready-to-run Docker images containing pyiron applications
Updated
May 28, 2024
Dockerfile
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
Updated
May 27, 2024
Python
Template repository - how to publish your pyiron workflow
Updated
May 23, 2024
Jupyter Notebook
Website for pyiron - an integrated development environment (IDE) for computational materials science.
Updated
May 16, 2024
SCSS
User developments to extend and modify core pyiron functionality
Updated
May 27, 2024
Python
pyiron_experimental is based on pyiron_base to develop post processing workflows for experimental applications.
Updated
May 20, 2024
Python
pyiron_gpl - additional modules for the pyiron IDE licensed under GPLv3
Updated
May 6, 2024
Python
pyiron - an integrated development environment (IDE) for computational materials science.
Updated
May 6, 2024
Jupyter Notebook
pyiron installer based on conda constructor
Updated
May 6, 2024
Shell
OVITO Python file reader for the h5 data containers written by pyiron.
Updated
Feb 27, 2024
Python
Resource folder for pyiron - an integrated development environment (IDE) for computational materials science.
Updated
Feb 8, 2024
Shell
Classical Spin Dynamics Simulation pyiron Workflow
Updated
Mar 4, 2024
Jupyter Notebook
pyiron job implementation for CINOLA wrapper
Updated
Jan 22, 2024
Python
Here, one can find different flavours of Dockerfile for building pyiron docker images.
Updated
Apr 25, 2024
Dockerfile
Updated
Aug 23, 2023
Jupyter Notebook
A fully automated approach to determine the melting temperature of crystalline materials
Updated
Jul 8, 2023
Jupyter Notebook
Pyiron notebooks from our journal club
Updated
Jun 5, 2023
Jupyter Notebook
Calculate elastic constants with LAMMPS and pyiron with no file system access
Updated
Feb 19, 2023
Jupyter Notebook
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