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1. vibrav vibrav Public

   A package for calculating vibronic effects of molecules with state-of-the-art methods in computational chemistry

   Python 2

2. ml-projects ml-projects Public

   A small repository analyzing the housing data set from Ames, Iowa. There are also a few linear regression models applied with the scikit-learn library.

   Jupyter Notebook

3. exatomic exatomic Public

   Forked from exa-analytics/exatomic

   A unified platform for theoretical and computational chemists

   Python

4. kk-interface-fort kk-interface-fort Public

   Kramers-Kronig Interface to perform KK, MSKK, CDKK methods using FORTRAN modules

   Python 1