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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 193 55