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cs.LG2025★ 1 cited
Graph Diffusion Transformers are In-Context Molecular Designers
Gang Liu, Jie Chen, Yihan Zhu +4
In-context learning allows large models to adapt to new tasks from a few demonstrations, but it has shown limited success in molecular design. Existing databases such as ChEMBL con…
cs.LG2024★ 3 cited
Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
Gang Liu, Michael Sun, Wojciech Matusik +2
While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty st…