- Efficient and interpretable graph network representation for angle-dependent properties applied to optical spectroscopy | npj Computational Materials
- GemNet: Universal Directional Graph Neural Networks for Molecules | OpenReview
- Predicting scalar coupling constants by graph angle-attention neural network - PubMed
- https://arxiv.org/pdf/2208.05039.pdf
- [2204.02782] GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets