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Author

Di Zhang

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ChemMLLM: Chemical Multimodal Large Language Model

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. · 16 citations
Book Open access Aug 2026

Chem-R: Learning to Reason as a Chemist

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. · 0 citations
Open access Nov 2024

MolReFlect: Toward In-Context Fine-Grained Alignments Between Molecules and Texts

MolReFlect is proposed, a novel teacher-student framework, where a teacher LLM first generates and refines mappings between caption phrases and SMILES substructures and then explicitly teaches these detailed alignments to a student LLM, enabling LLMs to significantly outperform previous baselines.

Jiatong Li, Yunqing Liu, Wei Liu et al. · 13 citations
Book Open access Aug 2026

Chem-R: Learning to Reason as a Chemist

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. · 0 citations

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