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MuPT-hub

The Multiscale Polymer Toolkit (MuPT)

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The multiscale polymer toolkit is a collaborative infrastructure to expand the ability of the polymer research community to understand structure- function relationships in polymers with multiscale molecular modeling and simulations.

To get started, try the currently working tutorials in https://github.com/MuPT-hub/mupt-examples.

If you are interested in participating, please reach out to project PI Eric Jankowski (ericjankowski@boisestate.edu)

Credits

Project PIs
  • Eric Jankowski (Boise State University)
  • Jacob Gissinger (Stevens Institute of Technology)
  • Janani Sampath (University of Florida)
  • Sapna Sarupria (University of Minnesota-Twin Cities)
  • Michael Shirts (University of Colorado Boulder)
Contributors
  • Tim Bernat (University of Colorado Boulder)
  • Salman Bin Kashif (University of Colorado Boulder)
  • Sirsha Ganguly (University of Florida)
  • Joe Laforet Jr. (University of Colorado Boulder)
  • Janitha Mahanthe (Stevens Institute of Technology)
  • Stephanie McCallum (Boise State University)
  • David W. H. Swenson (Open Molecular Software Foundation)
  • Matt Thompson (Open Molecular Software Foundation)
  • Naomi Trampe (University of Minnesota-Twin Cities)
  • Jeff Wagner (Open Molecular Software Foundation)
Funding

The project is funded in part by the National Science Foundation, under grants OAC-2411302, OAC-2411303, OAC-2411304, OAC-2411305, and OAC-2411306.

Popular repositories Loading

  1. mupt mupt Public

    Drafting repository for the core functionality of the Multiscale Polymer Toolkit (MuPT)

    Python 5 7

  2. ellipsoids ellipsoids Public

    Jupyter Notebook 1

  3. mupt-examples mupt-examples Public

    Example notebooks for testing and demonstrating MuPT functionality

    Jupyter Notebook 1 6

  4. mupt-analysis mupt-analysis Public

    Jupyter Notebook 5

  5. .github .github Public

    Public Repository Readme

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