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Author

Jeehyun Hwang

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Open access Oct 2026

C-MAGE: Automated Extraction and Organization Engine for Molecular Representations in Chemical Documents

To exploit the data present in chemical literature for AI applications in chemistry, an expanded and reliable extraction pipeline is needed. AI-ready chemical databases broaden chemical space coverage and provide benchmarking and training sets for machine learning model development to drive innovation within the fiel...

Alexander K. Taylor, Jeehyun Hwang, Mihir Surve et al. · 0 citations
Book Open access Aug 2026

From VAEs to Diffusion and LLMs: Modern Generative Models for Molecular Discovery

This tutorial provides a unified introduction to modern generative modeling approaches for molecular generation, covering their theoretical foundations, algorithmic design, and practical considerations for molecular representations such as 1D SMILES strings, 2D molecular graphs, and 3D structures.

Ke-Han Guo, Yili Shen, Jeehyun Hwang et al. · 0 citations

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