signac - Tutorial and Examples

This collection of Jupyter notebooks serves as a tutorial on how to implement a basic computational workflow using the signac data management framework.

Workflow Examples

The sections within this chapter introduce the signac framework and demonstrate how to implement a simple, but complete computational workflow.

• 1.1 Getting Started
• 1.2 Exploring Data
• 1.3 A Basic Workflow
• 1.4 Modifying the Data Space
• 1.5 signac-flow Ideal Gas Example
• 1.6 signac-flow HOOMD-blue Example
• 1.7 Integration with Sacred

Analysis Examples

The examples below use signac to analyze data and demonstrate integrations with other software.

• 2.2 Integration with pandas

Aggregation Examples

This set of examples demonstrates aggregation.

• 3.1 Aggregation Tutorial