19 projects
calphy
free energy calculation for python
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
pylammpsmpi
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
conceptual-dictionary
A Python dictionary template for storing serializable metadata
atomrdf
Ontology based structural manipulation and quering
pyscal3
Python library written in C++ for calculation of local atomic structural environment
pychromatic
A pretty color palette manager and matplotlib plotting utility for Python
tools4rdf
python tool for working with ontologies and data models
pyiron-contrib
Repository for user-generated plugins to the pyiron IDE.
compositionspace
APT analysis tools
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.
clitasks
Command line task manager
