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@marrink-lab
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Pinned

  1. pysmiles pysmiles Public

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

    Python 130 20

  2. hypothesis-networkx hypothesis-networkx Public

    Hypothesis strategy to generate NetworkX graphs.

    Python 18 3

  3. tBuLi/symfit tBuLi/symfit Public

    Symbolic Fitting; fitting as it should be.

    Python 227 17

  4. marrink-lab/vermouth-martinize marrink-lab/vermouth-martinize Public

    Describe and apply transformation on molecular structures and topologies

    Python 80 37