news

Jun 17, 2026 Organic Chemistry as a Catalyst for AI Innovation: Challenges, Methods, and Emerging Paradigms is published on Chemical Reviews. 📖
Jun 16, 2026 Excited to receive Notre Dame Scientific Artificial Intelligence (SAI) Initiative Grad Fellowship! 🙌
May 14, 2026 Controllable Molecular Generative Foundation Models is released on ArXiv!
Jan 26, 2026 The paper Graph Diffusion Transformers are In-Context Molecular Designers is accepted to ICLR!
Oct 11, 2025 I am excited to receive the NeurIPS 25 travel award. See you in UCSD!
Sep 18, 2025 The paper Learning Repetition-Invariant Representations for Polymer Informatics is accepted to NeurIPS! ✨
Jul 21, 2025 Our book 📘 Modeling Polymers with Neural Networks for polymer scientists interested in applying machine learning and neural networks is published by the American Chemical Society!
Jun 16, 2025 The Open Polymer Challenge: Leveraging Machine Learning for Polymer Informatics was accepted to NeurIPS 2025 Competition Track and is now LAUNCHed on Kaggle :fire:!
Jun 06, 2025 torch-molecule released! pip install torch-molecule to start developing your own models.