/tools/DiffIUPAC

DiffIUPAC

AspirinCode/DiffIUPAC

GitHub
generationtoolsmall-molecule
18 stars1 forksPythonAdded February 8, 2026
summary

DiffIUPAC is a diffusion-based generative model that facilitates molecular editing by converting chemical natural language (IUPAC names) to SMILES strings. It aims to enhance molecular design and optimization, demonstrating applicability in drug design through various case studies.

description

Diffusion-based generative drug-like molecular editing with chemical natural language

topics

diffusion-modelsiupacqedqeppitransformerdiffiupac

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