OpenPathSampling

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An open source Python framework for transition interface and path sampling calculations.

Python 116 50
Command line tools for OpenPathSampling

Python 3 3
Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling

Jupyter Notebook 19 11
Additional examples illustrating various aspects of OpenPathSampling

Jupyter Notebook 2
Small, topic-focused tutorials for OpenPathSampling

Jupyter Notebook 2

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openpathsampling Public
An open source Python framework for transition interface and path sampling calculations.

openpathsampling/openpathsampling’s past year of commit activity
ops_tutorial Public
Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling

openpathsampling/ops_tutorial’s past year of commit activity

Jupyter Notebook
19 11 2 0
Updated Dec 15, 2025
openpathsampling/ops_additional_examples’s past year of commit activity

Jupyter Notebook 0
2 0 0
Updated Nov 1, 2024
openpathsampling/openpathsampling-cli’s past year of commit activity

Python
3
MIT
3 2 1
Updated Aug 30, 2024
demo-2024 Public
Materials from the talk "OpenPathSampling in 2024 (and beyond!)"

openpathsampling/demo-2024’s past year of commit activity

Python 0 MIT 0
0 0
Updated Aug 27, 2024
openpathsampling/ops-test-files’s past year of commit activity

0 MIT 0
0 0
Updated Sep 16, 2023
mini-tutorials Public
Small, topic-focused tutorials for OpenPathSampling

openpathsampling/mini-tutorials’s past year of commit activity

Jupyter Notebook 0 MIT
2 1 3
Updated Jan 4, 2022