DESCENT 0.6.1.dev25+ga9c860f44 documentation logo
  • DESCENT 0.6.1.dev25+ga9c860f44 documentation
  • Utilities
Utilities
descent

DESCENT 0.6.1.dev25+ga9c860f44 documentation

descent

Getting Started

  • Installation
  • Examples
  • CODE OF CONDUCT
  • Release History

User Guide

  • Training Force Fields
  • Target Functions
  • Optimization

API Reference

  • Training Module
  • Target Functions
  • Optimization Module
  • Utilities
    • descent.utils.dataset
    • descent.utils.loss
    • descent.utils.molecule
    • descent.utils.reporting

Utilities

The utils module provides utility functions for datasets, loss computation, molecule handling, and reporting.

descent.utils.dataset

Utilities for working with datasets.

descent.utils.loss

Utilities for defining loss functions.

descent.utils.molecule

descent.utils.reporting

Utilities for reporting results.

descent.optim
descent.utils.dataset
© Copyright 2024, Simon Boothroyd.
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An Open Force Field Initiative project.