/tools/Equivariant-Graph-Transformer
Curtis-Wu/Equivariant-Graph-Transformer
Equivariant-Graph-Transformer is a deep neural network that combines an Equivariant Graph Neural Network with a Transformer-Encoder to predict molecular potentials. It provides a complete workflow for data preparation, model training, and evaluation, making it a valuable tool for molecular property prediction.
A deep neural network with hybrid architecture (EGNN + Transformer) for molecular properties prediction.
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