Welcome to the nomad-utility-workflows documentation

A module with utilities for interacting with NOMAD via, e.g., a workflow manager.

Introduction

NOMAD's API and workflow functionalities provide users with a route to FAIR data management of complex and highthroughput processes. However, the overhead for leveraging these capabilities remains rather large. This utility module assists lowers the barrier to these tools, currently with 2 distinct sets of tools: 1. python API wrappers, and 2. automated workflow yaml generation for building custom workflows.

Tutorial

Prototypical usage of the tool within a broader project and workflow management context:

• NOMAD Tutorial Workflow

How-to guides

How-to guides provide step-by-step instructions for a wide range of tasks, with the overarching topics:

• Install this plugin
• Use API functions
• Create Custom Workflows
• Add Custom Tasks

Explanation

The explanation provides background knowledge on functionalities of this plugin:

• Workflows

Reference

The reference section includes specifications for the relevant user-callable functions:

• Workflows

Main contributors

Name	E-mail
Joseph F. Rudzinski	joseph.rudzinski@physik.hu-berlin.de