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Guide to GUFE
API docs
gufe Change Log

Site Navigation

Guide to GUFE
API docs
gufe Change Log

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components
mapping
protocols
settings
- models
gufe.storage
- errors
- externalresource
transformations
- transformation
  - NonTransformation
  - Transformation
visualization
- mapping_visualization
chemicalsystem
- ChemicalSystem
custom_codecs
custom_json
custom_typing
ligandnetwork
- LigandNetwork
molhashing
- deserialize_numpy
- serialize_numpy
network
- AlchemicalNetwork
tokenization
utils
- ensure_filelike

API docs

`ligandnetwork`#

Classes

LigandNetwork

A directed graph connecting many ligands according to their atom mapping

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LigandNetwork

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