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  1 - Course Outline

  10 - Interactivity in Notebook

   1 -06 ipywidgets-Basics.ipynb

   2 -07 ipywidgets-usecases.html

   2 -ipywidgets Use Cases.mp4

   3 -assignment-solution.html

  11 - Cheminformatics @ Home

   1 -08 Introduction to Cheminformatics with RDKit.ipynb

   1 -pubchem_molecules.sdf

   1 -warfarin_xyz.xyz

   2 -09 Molecular Descriptors.ipynb

   3 -10 Substructure Search using RDKit.html

   3 -Substructure Search and MCS.mp4

   4 -11 Data Analytics and Building a Dataset with RDKit PandasTools.html

   4 -Data Analytics and Building a Dataset with RDKit PandasTools.mp4

   4 -new_silico_dataset.xlsx

   5 -12 Applying Reactions with RDKit.html

   5 -Applying Reactions with RDKit.mp4

   6 -13 Rendering 3D Structures with py3Dmol.ipynb

   7 - Task interactive py3Dmol.html

   7 -interactive py3Dmol.ipynb

  12 - BONUS

  2 - Data Science in Chemistry

   1 -Introduction to Data Science in Chemistry.mp4

  3 - Molecular Models Types

   1 -Molecular Models Types.mp4

  4 - Structure Representation and Line Notation in Chemistry

   1 -Structure Representation and Line Notation.mp4

   2 - More Line Notations in Chemistry.html

  5 - Chemical File Formats and Chemical File Conversion

   1 -Chemical File Formats.pdf

   2 -Chemical File Conversion.mp4

  6 - Setting up Python Environment

   2 -Jupyter Notebook Versions.mp4

  7 - Compound Database PubChem with Python

   1 -01_PubChemPy_Basics.ipynb

   2 -02_PubChemPy_Automation.html

   2 -Automating Chemical Data Retrieval with PubChemPy.mp4

  8 - Compound Database ChemSpider with Python

   1 -03 ChemSpiPy-Basics-Advanced.ipynb

  9 - Python Chemical Toolbox

   1 -04 Openbabel-Pybel Basics-Automation.ipynb

   2 -05 VIZ 3D_Str.html

   2 -Visualizing 3D Structures.mp4