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gruenewald-lab

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  1. CGsmiles CGsmiles Public

    Coarse-Grained Smiles (CGsmiles) for representing abitrarily complex molecules using a compact line notation

    Python 5 2

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Showing 3 of 3 repositories
  • CGsmiles Public

    Coarse-Grained Smiles (CGsmiles) for representing abitrarily complex molecules using a compact line notation

    gruenewald-lab/CGsmiles’s past year of commit activity
    Python 5 2 6 2 Updated Dec 12, 2024
  • pysmiles Public Forked from pckroon/pysmiles

    A lightweight python-only library for reading and writing SMILES strings

    gruenewald-lab/pysmiles’s past year of commit activity
    Python 0 Apache-2.0 21 0 0 Updated Jun 21, 2024
  • polyply_regression_tests Public

    Regression tests and tutorial input files for the polyply software suite

    gruenewald-lab/polyply_regression_tests’s past year of commit activity
    Python 1 Apache-2.0 3 0 0 Updated Jun 24, 2023

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