Pinned

1. GoodVibes

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

   Python 51 23

2. CASCADE

   CAlculation of NMR using Deep LEarning

   Python 10 1

3. pyDFTD3

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

   Python 6 4

4. Sterimol

   Calculate Sterimol Parameters from Sructure Input/Output Files

   Python 11 4

5. pyQRC

   Quick Reaction Coordinate using Python

   Python 4 4

6. Kinisot

   Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation

   Python 9 4