SMiPoly documentation
Current version: 1.1, release: 20250630
About SMiPoly
“SMiPoly (Small Molecules into Polymers)” is rule-based virtual library generator for discovery of functional polymers. It is consist of two submodules, “monc.py” and “polg.py”. “monc.py” is a monomer classifier from a list of small molecules, and “polg.py” is a polymer repeating unit generator from the classified monomer list.
How To Cite (publications)
SMiPoly: Generation of a Synthesizable Polymer Virtual Library Using Rule-Based Polymerization Reactions
Mitsuru Ohno, Yoshihiro Hayashi, Qi Zhang, Yu Kaneko, and Ryo Yoshida
Journal of Chemical Information and Modeling 2023 63 (17), 5539-5548
DOI: 10.1021/acs.jcim.3c00329
(version 0.0.1 was used)
Project Link https://github.com/PEJpOhno/SMiPoly
Demo video
