Library API documentation

ChemML Library API

• Chem module
• Magpie_Python module
• Initialization module
• Datasets module
• Preprocessing module
• Models module
• Optimization module
• Visualization module

Wrapper API documentation

ChemML Wrapper API

• Table of Contents
• Wrapper Reference
  • Input
  • Represent
  • Prepare
  • Model
  • Optimize
  • Visualize