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vinven7/materials-crystal-system-classification

Materials Science Crystal System Classification Dataset Dataset for classifying crystal system (7 classes) from chemical formula. Citation @article{venugopal2026probing, title={Probing Materials Intelligence in LLMs: From Latent Embeddings to Reliable Predictions}, author={Venugopal, Vineeth and Mahjoubi, Soroush and Olivetti, Elsa}, journal={arXiv preprint arXiv:2603.01834}, year={2026} }

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Materials Science Crystal System Classification Dataset

Dataset for classifying crystal system (7 classes) from chemical formula.

Citation

bibtex

@article{venugopal2026probing,
  title={Probing Materials Intelligence in LLMs: From Latent Embeddings to Reliable Predictions},
  author={Venugopal, Vineeth and Mahjoubi, Soroush and Olivetti, Elsa},
  journal={arXiv preprint arXiv:2603.01834},
  year={2026}
}