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  • OpenFF NAGL 0.3.2+0.g64f9c25.dirty documentation
  • openff.nagl
  • training
training
openff-nagl

OpenFF NAGL 0.3.2+0.g64f9c25.dirty documentation

openff-nagl
  • Overview
  • Installation
  • Theory
  • Designing a GCN
  • Training a NAGL model
  • Examples Using OpenFF NAGL

Developer's Guide

  • Dev Installation
  • Toolkit wrappers

API Reference

  • openff.nagl
    • domains
    • features
    • molecule
    • nn
    • toolkits
    • training
      • loss
      • metrics
      • reporting
      • templates
      • training
    • utils
    • GNNModel

training

Modules

loss

metrics

reporting

templates

training

NAGL_TOOLKIT_REGISTRY
loss
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