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7 repositories

openpathsampling
Public
An open source Python framework for transition interface and path sampling calculations.
monte-carlo molecular-dynamics molecular-dynamics-simulation
monte-carlo molecular-dynamics molecular-dynamics-simulation molecular-modeling biomolecular-simulation path-sampling
Python
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MIT License
•50•116•84•22•Updated Mar 23, 2026Mar 23, 2026
ops_tutorial
Public
Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling
Jupyter Notebook
•11•19•2•0•Updated Dec 15, 2025Dec 15, 2025
ops_additional_examples
Public
Additional examples illustrating various aspects of OpenPathSampling
Jupyter Notebook
•2•0•0•0•Updated Nov 1, 2024Nov 1, 2024
openpathsampling-cli
Public
Command line tools for OpenPathSampling
Python
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MIT License
•3•3•2•1•Updated Aug 30, 2024Aug 30, 2024
demo-2024
Public
Materials from the talk "OpenPathSampling in 2024 (and beyond!)"
Python
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MIT License
•0•0•0•0•Updated Aug 27, 2024Aug 27, 2024
ops-test-files
Public
Storage for large files needed in OPS tests
MIT License
•0•0•0•0•Updated Sep 16, 2023Sep 16, 2023
mini-tutorials
Public
Small, topic-focused tutorials for OpenPathSampling
Jupyter Notebook
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MIT License
•2•0•1•3•Updated Jan 4, 2022Jan 4, 2022

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