MD-22

The MD22 dataset is a benchmark used to evaluate the performance of models in predicting molecular properties, specifically focusing on the accuracy of energy and force predictions in large molecular systems.

Papers using MD-22 (2)

SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learning2024Neural P$^3$M: A Long-Range Interaction Modeling Enhancer for Geometric GNNs2024