Welcome to QuantumDeepField’s documentation!

Note this is a fork of the original implementation (https://github.com/masashitsubaki/QuantumDeepField_molecule). This repository is just a refactor of the original code that I attempted to document for my own usage.

Contents:

• Installation
• Usage
  • 1. Preprocessing (for training):
  • 2. Training:
  • 3. Preprocessing inference (predict):
  • 4. Prediction (Inference):
• Modules
  • Dataset object
  • Preprocessing
  • Training/Testing wrappers
  • QuantumDeepField

Indices and tables

• Index

• Module Index

• Search Page