Pinned

1. GoodVibes

   Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

   Python 58 27

2. CASCADE

   CAlculation of NMR using Deep LEarning

   Python 13 2

3. pyDFTD3

   Python version of Grimme's D3-dispersion correction for Gaussian input/output

   Python 7 4

4. Sterimol Archived

   Calculate Sterimol Parameters from Sructure Input/Output Files

   Python 13 4

5. pyQRC

   Quick Reaction Coordinate using Python

   Python 8 5

6. Kinisot

   Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation

   Python 11 4