pyiron
pyiron
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
pyiron_atomistics
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
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.
pyiron_base
Core components of the pyiron integrated development environment (IDE) for computational materials science
pyiron_meltingpoint
A fully automated approach to determine the melting temperature of crystalline materials