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SE(3) Equivariant GNN

Forked NVIDIA's code for SE(3) Equivariant GNN to modify it for molecular property (specific protein binding affinity) prediction on a custom dataset for the NeurIPS 2024 Leash Bio Kaggle Competition. My code and modifications are in the leash-bio branch.

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Modifying SE(3)-equivariant GNN to work on custom dataset for the 2024 NeurIPS Kaggle competition.

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