OpenMSIModel uses the GEMD (Graphical Expression of Material Data) format to interact with generalized laboratory, analysis, and computational materials data. It allows to structure real scientific workflows into meaningful data structures, model them in graph and relational databases, explore on interactive graphical interfaces, and build long-term, shareable assets stores.
Available on PyPI at https://pypi.org/project/openmsimodel and GitHub at https://github.com/openmsi/openmsimodel
Official documentation at https://openmsimodel.readthedocs.io/en/latest/
pip install openmsimodel
for Mac Users:
brew install graphviz
python -m pip install \
--global-option=build_ext \
--global-option="-I$(brew --prefix graphviz)/include/" \
--global-option="-L$(brew --prefix graphviz)/lib/" \
pygraphviz
pip install openmsimodel