"small molecule design" Papers

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DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform

Peizhi Niu, Yu-Hsiang Wang, Vishal Rana et al.

NEURIPS 2025arXiv:2504.06312
1
citations

Simple Guidance Mechanisms for Discrete Diffusion Models

Yair Schiff, Subham Sahoo, Hao Phung et al.

ICLR 2025arXiv:2412.10193
76
citations