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1. SymmetryAdvantage/WyckoffTransformer SymmetryAdvantage/WyckoffTransformer Public

   Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]

   Jupyter Notebook 29 10

2. HSE-LAMBDA/ai4material_design HSE-LAMBDA/ai4material_design Public

   Code for Kazeev, N., Al-Maeeni, A.R., Romanov, I. et al. Sparse representation for machine learning the properties of defects in 2D materials. npj Comput Mater 9, 113 (2023).

   Jupyter Notebook 8 6