API Reference

This section contains auto-generated API documentation from docstrings in the source code.

Modules

• Components
  • Data Pipeline
  • Representation
  • Transform
  • Augmentation
  • Model
  • Layers
• Core
  • Data Module
  • Dataset
  • Routine
  • Scheduler
  • Property System
• Utilities
  • Types
  • Hydra Utilities
  • CLI Utilities
  • Standardizer
  • Reaction Utilities
  • Atom Mapping
  • Callable Composition
  • Miscellaneous
  • Decorators

Overview

ChemTorch is organized into three main packages:

• components: Modular building blocks (data pipeline, representations, transforms, models, layers)

• core: PyTorch Lightning modules (DataModule, Routine, Trainer integration)

• utils: Helper functions and utilities

All public APIs follow consistent patterns and are designed for composability.