senya-ashukha / simple-equivariant-gnn

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

Simple implementation of Equivariant GNN

• 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.