19 projects
compositionspace
APT analysis tools
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
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
pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
calphy
free energy calculation for python
pyfileindex
pyfileindex - pythonic file system index
pyiron-contrib
Repository for user-generated plugins to the pyiron IDE.
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-gui
Repository for GUI plugins to the pyiron IDE.
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.
pychromatic
a pretty color selector for python
clitasks
Command line task manager