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@openpathsampling

OpenPathSampling

An open source Python framework for path sampling simulations

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  1. openpathsampling openpathsampling Public

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

    Python 103 47

  2. openpathsampling-cli openpathsampling-cli Public

    Command line tools for OpenPathSampling

    Python 3 2

  3. ops_tutorial ops_tutorial Public

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

    Jupyter Notebook 13 12

  4. ops_additional_examples ops_additional_examples Public

    Additional examples illustrating various aspects of OpenPathSampling

    Jupyter Notebook 1

  5. mini-tutorials mini-tutorials Public

    Small, topic-focused tutorials for OpenPathSampling

    Jupyter Notebook 2

Repositories

Showing 7 of 7 repositories
  • openpathsampling Public

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

    openpathsampling/openpathsampling’s past year of commit activity
    Python 103 MIT 47 80 (6 issues need help) 22 Updated Aug 31, 2024
  • openpathsampling-cli Public

    Command line tools for OpenPathSampling

    openpathsampling/openpathsampling-cli’s past year of commit activity
    Python 3 MIT 2 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
  • ops_additional_examples Public

    Additional examples illustrating various aspects of OpenPathSampling

    openpathsampling/ops_additional_examples’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated May 1, 2024
  • 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 13 12 2 0 Updated Jan 14, 2024
  • ops-test-files Public

    Storage for large files needed in OPS tests

    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

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