BespokeFit documentation
openff.bespokefit
fragmentation
openff.bespokefit.fragmentation.FragmentationEngine

openff.bespokefit.fragmentation.FragmentationEngine

openff-bespokefit

BespokeFit documentation

openff-bespokefit

Getting Started

Installation
Quick start
Commands
FAQ

Bespoke User Guide

Theory
Fitting workflows
Bespoke executor
Retrieving results

API Reference

openff.bespokefit
- exceptions
- executor
- fragmentation
- optimizers
- schema
- utilities
- workflows

Developer Guide

Schemas
Release History

openff.bespokefit.fragmentation.FragmentationEngine

openff.bespokefit.fragmentation.FragmentationEngine: alias of Union[WBOFragmenter, PfizerFragmenter]

openff.bespokefit.fragmentation.base.register_fragmentation_engine

openff.bespokefit.fragmentation.deregister_fragmentation_engine

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