/equivariant-gnn-ddd-hse

A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks

Primary LanguagePythonApache License 2.0Apache-2.0

Simple implementation of Equivariant GNN

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  • A short implementation of E(n) Equivariant Graph Neural Networks for HOMO energy prediction.
  • Just 50 lines of code;
  • The implementation is based on pure PyTorch & Numpy, it has no external packages (like PyTorch-geometric).
  • Closely matches the Mean Absolute Error reported in the paper.