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wyckoff position

3 papers

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Co-occurring keywords · papers mentioning both

lattice matrix (1) crystal symmetry (1) fréchet wrenformer distance (1) thermodynamical stability (1) permutation-invariant autoregressive model (1) space group symmetry (1) stable crystal structures (1) symmetrically valid (1) discrete generative model (1) crystal generation (1)

Papers

WyckoffDiff – A Generative Diffusion Model for Crystal Symmetry ICML 2025 Wyckoff Transformer: Generation of Symmetric Crystals ICML 2025 Space Group Constrained Crystal Generation ICLR 2024