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Genetic Algorithm for Identifying Novel Structures (GAINS)

Project description


GAINS - Genetic Algorithm for Identifying Novel Structures - is a project that enables molecular design and computational screening of small molecules–in particular solvents–for energy storage applications.

Built on the molecular functionality of RDKit, future versions of GAINS should be employable across a spectrum of small-molecule design problems.

To get started using this software, please go to the repository README.


gains is licensed under the terms of the MIT license. See the file “LICENSE” for information on the history of this software, terms & conditions for usage, and a DISCLAIMER OF ALL WARRANTIES.

All trademarks referenced herein are property of their respective holders.

Copyright (c) 2017–, Wesley Beckner, The University of Washington.

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