ChemArchitect

A program for machine learning data generation of chemical systems.

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Documentation Version 0.1

ChemArchitect

Author: Jessica Freeze
Contributors: Malika Uteuliyeva
Last Update: August 27, 2019

This documentation will strive to explain how to use the program, as well as why certain decisions were made, and how work-arounds may be used to incorporate new uses. Any use or edited version of this code should cite this repository and it's author(s).

Contents

  1. Getting Started/Installation
  2. Tutorial
  3. Origins of ChemArchitect
  4. Program Structure
  5. Justifications
  6. Additional Features
  7. Known Code Limitations