Publications

Conference Proceedings

• MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  • Nagham Osman* , Clement Vignac*, Laura Toni, Pascal Frossard
  • European Conference on Machine Learning and Principles of Knowledge Discovery in Databases (ECML PKDD 2023)- Oral Presentation
  • The code can be found here

Workshops

• MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  • Clement Vignac, Nagham Osman, Laura Toni, Pascal Frossard
  • International Conference on Learning Representations (ICLR) 2023, Machine Learning for Drug Discovery Workshop
  • Graph Signal Processing Workshop 2023 - Oral Presentation
• LGDC: Latent Graph Diffusion via Spectrum‑Preserving Coarsening
  • Nagham Osman, Keyue Jiang, Davide Buffelli, Xiaowen Dong, Laura Toni
  • Advances in Neural Information Processing Systems (NeurIPS) 2025, New Perspectives in Advancing Graph Machine Learning Workshop
• From In Silico to In Vitro: Evaluating Molecule Generative Models for Hit Generation
  • Nagham Osman, Vittorio Lembo, Giovanni Bottegoni, Laura Toni
  • Advances in Neural Information Processing Systems (NeurIPS) 2025, AI for Science Workshop

*marks equal contribution