Liedl Lab

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1. surface_analyses surface_analyses Public

   Scores for Hydrophobicity and Charges based on SASAs

   Python 46 14

2. TopModel TopModel Public

   A structure checker in python

   Python 27 5

3. X-Entropy X-Entropy Public

   This package is meant to calculate the dihedral entropy of a biomolecule. However, it can also calculate the entropy of any binnable data or simply the KDE of that data.

   Python 24 2

4. gigist gigist Public

   GPU Implementation of GIST

   C++ 6 8

5. gisttools gisttools Public

   Post-processing of data generated by the GIST (Grid Inhomogeneous Solvation Theory) action in cpptraj

   Jupyter Notebook 6 5

6. GetContacts_analysis GetContacts_analysis Public

   Analysis tool for GetContact Frequencies

   Python 4 1