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Achievement: Starstruckx2Achievement: Arctic Code Vault ContributorAchievement: Pull Shark
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Achievement: Starstruckx2Achievement: Arctic Code Vault ContributorAchievement: Pull Shark
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@westpa
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Pinned

  1. checkvnc checkvnc Public

    Tools to help users manage VNC virtual desktops

    Python

  2. md_in_pchem md_in_pchem Public

    Topologies, structures, scripts, and documents for using molecular dynamics simulations in the teaching of physical chemistry

    Jupyter Notebook 1 1

  3. orca-tools orca-tools Public

    Some scripts for dealing with Orca quantum chemistry calculations

    Python

  4. read_mdout read_mdout Public

    Convert AMBER mdout files to numpy arrays and/or HDF5 files.

    Python

  5. zcluster-build-scripts zcluster-build-scripts Public

    Software build scripts for my cluster

    Shell

  6. westpa/westpa westpa/westpa Public

    WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

    Python 183 49