OpenFF NAGL 0.3.2+0.g64f9c25.dirty documentation logo
  • OpenFF NAGL 0.3.2+0.g64f9c25.dirty documentation
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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
Toolkit wrappers
openff.nagl
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