publications

2026

1. Preprint

   

   Controllable Molecular Generative Foundation Models

   Yihan Zhu, Yuhan Liu, Weijiang Li, and 2 more authors

   arXiv preprint arXiv:2605.15354, 2026
2. Chemical Reviews

   Organic Chemistry as a Catalyst for AI Innovation: Challenges, Methods, and Emerging Paradigms

   Nitesh V. Chawla, Yihan Zhu, Gisela A. González-Montiel, and 19 more authors

   Chemical Reviews, Jun 2026

   DOI

2025

1. NeurIPS 2025

   

   Learning Repetition-Invariant Representations for Polymer Informatics

   Yihan Zhu, Gang Liu, Eric Inae, and 2 more authors

   arXiv preprint arXiv:2505.10726, Jun 2025
2. Preprint

   

   MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning

   Yihan Zhu, Gang Liu, Eric Inae, and 1 more author

   arXiv preprint arXiv:2506.00009, Jun 2025
3. ICLR 2026

   

   Graph Diffusion Transformers are In-Context Molecular Designers

   Gang Liu, Jie Chen, Yihan Zhu, and 4 more authors

   arXiv preprint arXiv:2510.08744, Jun 2025
4. Preprint

   

   Scientific Algorithm Discovery by Augmenting AlphaEvolve with Deep Research

   Gang Liu, Yihan Zhu, Jie Chen, and 1 more author

   arXiv preprint arXiv:2510.06056, Jun 2025
5. ACS

   Modeling Polymers with Neural Networks

   Eric Inae, Yuhan Liu, Yihan Zhu, and 5 more authors

   Jun 2025

   DOI