signac - Tutorial and Examples

Tutorial Notebooks

The notebooks directory contains a collection of Jupyter notebooks that serve as a tutorial. They demonstrate how to implement a basic computational workflow using the signac framework. The framework assists users in managing simple to complext data spaces for example by simplifying provenance tracking and meta data management.

Use nbviewer to view a static version of these notebooks. Or start a dynamic version with the service offered by mybinder.org.

To run the notebooks locally, clone the repository and then start Jupyter:

git clone https://github.com/glotzerlab/signac-examples.git
cd signac-examples/notebooks
jupyter lab  # or jupyter notebook
# Open `index.ipynb` in your Jupyter session

Note that some notebooks have dependencies beyond Jupyter, signac, and signac-flow, like the HOOMD-blue simulation tutorial. A full conda environment containing these dependencies can be installed with:

conda env create -f environment.yml --name signac-examples

Example Projects

The projects directory contains a collection of project examples. They are designed as examples and for the fast setup of new projects.

Simply clone or download this repository and copy all scripts into your signac project path, e.g.:

git clone https://github.com/glotzerlab/signac-examples.git
mkdir my_project
cd my_project
signac init MyProject
cp -r ../signac-examples/projects/flow.minimal/* ./

For more information, please see projects/README.md.

Copyright Notice

All code as part of this repository is released under the BSD 3-Clause license, except for the examples found in the projects/ directory which are released into the public domain.