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crystal structure generation

3 papers

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Co-occurring keywords · papers mentioning both

graph neural network (2) language model (2) equivariant neural network (1) message passing neural network (1) crystal structure (1) materials discovery (1) material discovery (1) periodic invariance (1) text-to-structure generation (1) sequence tokenization (1)

Papers

Generative Hierarchical Materials Search NeurIPS 2024 Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation NeurIPS 2024 Equivariant Message Passing Neural Network for Crystal Material Discovery AAAI 2023