Skip to main content

Ctrl+K

gufe documentation

Site Navigation

Guide to GUFE
API docs
gufe Change Log

Site Navigation

Guide to GUFE
API docs
gufe Change Log

Section Navigation

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
components

`smallmoleculecomponent`#

Classes

SmallMoleculeComponent

Component representing a small molecule, used for ligands and cofactors.

previous

positive_ions

next

SmallMoleculeComponent

© Copyright 2022, The OpenFE Development Team.

Created using Sphinx 7.3.7.

Built with the PyData Sphinx Theme 0.14.4.