"molecular graph generation" Papers

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Flatten Graphs as Sequences: Transformers are Scalable Graph Generators

Dexiong Chen, Markus Krimmel, Karsten Borgwardt

NeurIPS 2025posterarXiv:2502.02216
4
citations

Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space

Mohamed Amine Ketata, Nicholas Gao, Johanna Sommer et al.

ICLR 2025posterarXiv:2406.10513
5
citations

Interpreting Equivariant Representations

Andreas Abildtrup Hansen, Anna Calissano, Aasa Feragen

ICML 2024poster