This work designs five types of multimodal tasks across text, molecular SMILES strings and images, and curates the datasets, demonstrating the feasibility of unifying multiple cross-modal chemical tasks within a single foundation model and enabling more intuitive, visual human-AI interaction.
Qian Tan, Di Zhang, Ben Gao et al.· arXiv.org· 16 citations
Despite the potential of Large Language Models (LLMs) in chemical discovery, current LLMs still lack fundamental chemical domain knowledge, produce incoherent reasoning trajectories, and exhibit suboptimal performance across diverse chemical tasks. To address these challenges, we propose Chem-R, a general Chemical Reas...
Weida Wang, Benteng Chen, Di Zhang et al.· Proceedings of the 32nd ACM...· 0 citations
The proposed Chem-R, a general Chemical Reasoning model designed to emulate the deliberative processes of chemists, achieves state-of-the-art performance on comprehensive benchmarks, surpassing leading LLMs, including Gemini-3-Pro and Kimi-k2.5.
Weida Wang, Benteng Chen, Di Zhang et al.· Proceedings of the 32nd ACM...· 0 citations
A Molecular Perturbation framework that generates syntax-valid structural variants of training molecules under controlled Graph Edit Distance (GED) to probe the manifold regularity of molecular LLMs and suggests that it can partially expand the local trust region and offer a promising direction for stabilizing molecula...
Jiatong Li, Weida Wang, Changmeng Zheng et al.· 0 citations
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