Niklas Leimeroth's repositories
calphy_gpu
A Python library and command line interface for automated free energy calculations
Language:PythonNOASSERTION000
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Language:PythonNOASSERTION000
mdstresslab
MDStressLab in C++
Language:C++NOASSERTION000
Language:Jupyter Notebook000
pyironFileReader
OVITO Python file reader for the h5 data containers written by pyiron.
Language:PythonMIT000
pymdstresslab
MDStressLab for Python users
Language:Python000
TransferJobsToOtherDB
Transfer pyiron job from multiple sqlite databases (i.e. mutliple single users) to another database to see if any problems occur.
Language:Jupyter NotebookBSD-3-Clause000