OpenFF NAGL 0.5.0+1.g92d3302.dirty documentation
openff.nagl
domains

domains

OpenFF NAGL 0.5.0+1.g92d3302.dirty documentation

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

Developer's Guide

Changelog
Dev Installation
Toolkit wrappers

API Reference

openff.nagl
- config
- domains
  - ChemicalDomain
- features
- lookups
- molecule
- nn
- toolkits
- training
- utils
- GNNModel

`domains`

Classes

ChemicalDomain

A domain of chemical space to which a molecule can belong

TrainingConfig

ChemicalDomain

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