19 projects
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
atomrdf
Ontology based structural manipulation and quering
pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
pyscal3
Python library written in C++ for calculation of local atomic structural environment
pyfileindex
pyfileindex - pythonic file system index
pyiron-continuum
Repository for user-generated plugins to the pyiron IDE.
pyiron-gpl
pyiron - an integrated development environment (IDE) for computational materials science.
pyscal-rdf
Ontology based structural manipulation and quering
pyiron-contrib
Repository for user-generated plugins to the pyiron IDE.
pyiron-gui
Repository for GUI plugins to the pyiron IDE.
calphy
free energy calculation for python
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
pyscal2
Python library written in C++ for calculation of local atomic structural environment
pyiron-experimental
Repository for experimental plugins to the pyiron IDE.
compositionspace
APT analysis tools
pychromatic
a pretty color selector for python
clitasks
Command line task manager