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1. pyECLAT pyECLAT Public

   A package for association analysis using the ECLAT method.

   Python 26 6

2. pyADA pyADA Public

   A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.

   Jupyter Notebook 21 9

3. pySiRC pySiRC Public

   Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.

   Python 12 4

4. SpectraFP SpectraFP Public

   A package to perform fingerprints from spectroscopy datas.

   Jupyter Notebook 7 2

5. spyn spyn Public

   A software for ssnmr shield tensors calculations based on GIPAW method, Visualization of theoretical and experimental spectra, Conformer Generator with Genetic Algorithm and Boltzmann Probability o…

   Python 5

6. molbokeh molbokeh Public

   A new python package to visualize molecules in dots hover

   Jupyter Notebook 4 1