CrystalREPA closes the representation gap between crystal generators and universal MLIPs via contrastive alignment, yielding more stable and valid generated crystals while revealing that MLIP teacher quality is better predicted by representation distinguishability than by leaderboard accuracy.
Space group constrained crystal generation
2 Pith papers cite this work. Polarity classification is still indexing.
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SymADiT generates stable symmetric materials by enforcing Wyckoff-position and space-group constraints inside a latent generative model built on the prior ADiT architecture.
citing papers explorer
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CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative Models
CrystalREPA closes the representation gap between crystal generators and universal MLIPs via contrastive alignment, yielding more stable and valid generated crystals while revealing that MLIP teacher quality is better predicted by representation distinguishability than by leaderboard accuracy.
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Generating Symmetric Materials using Latent Flow Matching
SymADiT generates stable symmetric materials by enforcing Wyckoff-position and space-group constraints inside a latent generative model built on the prior ADiT architecture.