kurbanintelligencelab/

RADII

RADII measures where graph generative models start to fail as the structures they generate grow larger. Radius is treated as a continuous scaling knob from in-distribution to out-of-distribution; the dataset spans 10 materials and 25 radii with leakage-free splits.

Paper: How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science — KDD '26 Code (models, trainer… See the full description on the dataset page: https://huggingface.co/datasets/kurbanintelligencelab/RADII.