Functions for creating and running Simulation Tools on the HUBzero platform lead by nanoHUB
- Free software: MIT license
- Documentation: https://simtool.readthedocs.io.
- Easily declare and validate inputs and outputs of a simulation using Python and Jupyter notebooks. The entire simulation code can run inside a notebook or the notebook can be a wrapper that invokes complex external codes.
- Uses papermill to run parameterized notebooks, saving a new copy for each run.
- Results saved in a datastore (filesystem or web service based). The datastore can be used for machine learning and statistical analysis. Additionally, it functions as a cache.
- Can be containerized for remote execution.
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.