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Excited to share CrystalReasoner, a reasoning model for crystal structure generation with LLMs and property-conditioned generation through RL: Website: Paper: Code:

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Sherry Yang

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11,451 просмотров • 4 месяцев назад •via X (Twitter)

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This symmetric diffusion paper at ICLR is nice (simple idea in retrospect): SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models We'd actually implemented this idea internally at Orbital, and it works nicely even for very large crystal structures:
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