User Guide

MOFA is a Python library which contains the individual components to design and test MOFs alongside tools for deploying and integrating the components across distributed computing resources.

Start by learning the life cycle of a MOF prediction to understand the types of components and how they combine.

The user guide describes each components in detail.

Contents:

• Lifecycle
  • MOF Definition
  • Assembly
  • Property Calculation
  • Workflow Tracking
• Running MOFA
  • The Run Script
  • Configuration
• Simulation Runners
  • DFT Runners