PCQM-Contact / README.md
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metadata
task_categories:
  - graph-ml
size_categories:
  - 1M<n<10M
tags:
  - lrgb
license: cc-by-4.0

peptides-functional

Dataset Summary

Dataset Domain Task Node Feat. (dim) Edge Feat. (dim) Perf. Metric
PCQM-Contact Quantum Chemistry Link Prediction Atom Encoder (9) Bond Encoder (3) Hits@K, MRR
Dataset # Graphs # Nodes μ Nodes μ Deg. # Edges μ Edges μ Short. Path μ Diameter
PCQM-Contact 529,434 15,955,687 30.14 2.03 32,341,644 61.09 4.63±0.63 9.86±1.79

Additional Information

Dataset Curators

Citation Information

@article{dwivedi2022LRGB,
  title={Long Range Graph Benchmark}, 
  author={Dwivedi, Vijay Prakash and Rampášek, Ladislav and Galkin, Mikhail and Parviz, Ali and Wolf, Guy and Luu, Anh Tuan and Beaini, Dominique},
  journal={arXiv:2206.08164},
  year={2022}
}