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@westpa

westpa

Interoperable, highly-scalable software for weighted ensemble simulation

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  1. westpa Public

    WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

    Python 197 55

  2. tutorials Public

    Landing Page/HUB for all WESTPA Tutorials

    TeX 8 1

  3. westpa_tutorials Public

    Tutorials and additional documentation for the WESTPA suite

    Jupyter Notebook 14 22

  4. westpa2_tutorials Public

    Advanced tutorials for WESTPA 2.0

    Jupyter Notebook 12 10

  5. user_submitted_scripts Public

    Example scripts for WESTPA submitted by users

    Python 3 12

  6. msm_we Public

    Forked from ZuckermanLab/msm_we

    This is a package for doing history-augmented MSM (haMSM) analysis on weighted ensemble trajectories.

    Python

Repositories

Showing 10 of 18 repositories
  • westpa Public

    WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

    Python 197 MIT 55 17 (1 issue needs help) 10 Updated Jan 21, 2025
  • DL-enhancedWE Public

    Implementing binless WESTPA with DeepDriveMD using the ntl9 SynD object.

    Jupyter Notebook 1 0 0 0 Updated Nov 22, 2024
  • msm_we Public Forked from ZuckermanLab/msm_we

    This is a package for doing history-augmented MSM (haMSM) analysis on weighted ensemble trajectories.

    Python 0 MIT 1 0 0 Updated Nov 20, 2024
  • msm_we_old Public archive Forked from jdrusso/msm_we
    Python 2 MIT 7 0 0 Updated Nov 18, 2024
  • tutorials Public

    Landing Page/HUB for all WESTPA Tutorials

    TeX 8 1 0 1 Updated Oct 7, 2024
  • westpa2_tutorials Public

    Advanced tutorials for WESTPA 2.0

    Jupyter Notebook 12 10 0 0 Updated Oct 1, 2024
  • westpa-test-systems Public Forked from jeremyleung521/westpa-test-systems

    Different WESTPA simulations for quick testing

    Python 0 1 0 0 Updated Sep 17, 2024
  • user_submitted_scripts Public

    Example scripts for WESTPA submitted by users

    Python 3 12 0 2 Updated Sep 16, 2024
  • HIF2alpha_unbinding Public Forked from gma57/HIF2alpha_unbinding

    Files to provide data and analysis transparency accopanying HIF2alpha manuscript.

    Jupyter Notebook 0 1 0 0 Updated Sep 9, 2024
  • westpa-logos Public

    A repository with source files for WESTPA logos

    0 0 0 0 Updated Aug 8, 2024