Paper¶

MEIDNet: Multimodal generative AI framework for inverse materials design. Anand Babu, Rogério Almeida Gouvêa, Pierre Vandergheynst, Gian-Marco Rignanese. npj Computational Materials (2026). doi:10.1038/s41524-026-02153-3 · arXiv:2601.22009

@article{meidnet2026,
  title   = {MEIDNet: Multimodal generative AI framework for inverse materials design},
  author  = {Anand Babu and Rog{\'e}rio Almeida Gouv{\^e}a and Pierre Vandergheynst and Gian-Marco Rignanese},
  journal = {npj Computational Materials},
  year    = {2026},
  doi     = {10.1038/s41524-026-02153-3}
}

Code and data of the paper¶

Code as published: tag v1.0.0-paper (frozen; MEIDNet 2 reproduces it bit for bit — see Perov-5).
Checkpoints: checkpoints/ in the repository (2.8 MB each).
Data: Perov-5 in the CDVAE split (meidnet download-data); Castelli et al., Energy Environ. Sci. 5, 5814 (2012); Xie et al., ICLR (2022).
Generated structures: examples/perov5/paper_results/.

Satorras, Hoogeboom, Welling, E(n) equivariant graph neural networks, ICML 2021 (the encoder).
Radford et al., CLIP, ICML 2021 (the alignment objective).
Batatia et al., MACE-MP-0 (stability screening).

Paper¶

Code and data of the paper¶

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