AutoREACTER Documentation

Welcome to the AutoREACTER documentation.

AutoREACTER is a tool for automated reaction-based molecular system generation. This documentation is organized into a user guide and a developer guide.

Note: AutoREACTER is currently under active development. APIs, configuration schemas, and core functionality may change or break without notice as reaction-library and force-field support expand.

User Guide

User Guide:

• Welcome to AutoREACTER
• Getting Started
• Input Configuration.
• Advanced Options
• Supported Reactions
• Supported Force Fields
• API Reference

Developer Guide

Developer Guide:

• Template Deduplication Options
• Change Log
• Contact us