OpenFF NAGL 0.3.7+9.g10c2555.dirty documentation
openff.nagl
toolkits
openff
toolkit_registry_function

toolkit_registry_function

OpenFF NAGL 0.3.7+9.g10c2555.dirty documentation

Overview
Installation
Theory
Designing a GCN
Training a NAGL model
Examples Using OpenFF NAGL

Developer's Guide

Dev Installation
Toolkit wrappers

CLI Reference

CLI Reference

API Reference

openff.nagl

`toolkit_registry_function`

openff.nagl.toolkits.openff.toolkit_registry_function(function)[source]

Contents

toolkit_registry_function
- toolkit_registry_function()

stream_molecules_to_file

validate_smiles

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