Software

See the table below for our open-source software offerings.

For the most current listing of NREL-developed open-source software, see U.S. Department of Energy Office of Scientific and Technical Information's DOE CODE database.

Commercial Licensing

Explore more than 250 copyrighted software tools available for licensing via the Department of Energy's Lab Partnering Service.

m2p: Monomers to Polymers

Jun 18, 2020, 18:00 PM

This software is Python-based code that takes monomers, represented as SMILES, and "reacts" them together to form long polymer chains, represented as SMILES, based on known polymer chemistries. The software is used in a machine-learning pipeline where a database and machine-learning approaches are used to predict polymer properties base on molecular structure.

Title : m2p: Monomers to Polymers

Url : https://github.com/NREL/m2p

Software Id : 44795

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