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mupt
mupt PublicForked from MuPT-hub/mupt
Drafting repository for the core functionality of the Multiscale Polymer Toolkit (MuPT)
Python
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mdanalysis
mdanalysis PublicForked from MDAnalysis/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Python
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MDAnalysis_unwrapping_issue_example
MDAnalysis_unwrapping_issue_example Publicrepository contains example notebooks demonstrating a discrepancy when unwrapping MDAnalysis Universes from LAMMPS trajectories, particularly when periodic boundary condition flags are not handled …
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CPDS-ECH6845-Group3
CPDS-ECH6845-Group3 PublicThis repository hosts notebooks for the final group project of Chemical Process Data Science by Sumant Shreedhar Patankar, Fall 2025 for Group 3. Members are: Prathamesh Khandakar, Sirsha Ganguly, …
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mupt-examples
mupt-examples PublicForked from MuPT-hub/mupt-examples
Example notebooks for testing and demonstrating MuPT functionality
Jupyter Notebook
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