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Data Science in Chemistry DevCourseWeb

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Language:

English

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2.0 GB

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Files:

Get Bonus Downloads Here.url 182 bytes
1 -Course Overview.mp4 44.9 MB
1 -06 ipywidgets-Basics.html 325.0 KB
1 -06 ipywidgets-Basics.ipynb 26.5 KB
1 -Getting Started with ipywidgets.mp4 163.1 MB
2 -07 ipywidgets-usecases.html 302.0 KB
2 -07 ipywidgets-usecases.ipynb 47.6 KB
2 -ipywidgets Use Cases.mp4 92.7 MB
3 - Assignment Visualize 3D structure from a local directory.html 583 bytes
3 -assignment-solution.html 270.3 KB
1 -08 Introduction to Cheminformatics with RDKit.html 960.4 KB
1 -08 Introduction to Cheminformatics with RDKit.ipynb 1.7 MB
1 -Introduction to Cheminformatics with RDKit.mp4 224.0 MB
1 -pubchem_molecules.sdf 284.8 KB
1 -warfarin_mol_h_3d.mol 3.4 KB
1 -warfarin_xyz.xyz 1.6 KB
2 -09 Molecular Descriptors.html 303.0 KB
2 -09 Molecular Descriptors.ipynb 25.7 KB
2 -Molecular Descriptors.mp4 74.9 MB
3 -10 Substructure Search using RDKit.html 1.4 MB
3 -10 Substructure Search using RDKit.ipynb 1.2 MB
3 -Substructure Search and MCS.mp4 111.3 MB
3 -ee61_molecules.sdf 427.2 KB
4 -11 Data Analytics and Building a Dataset with RDKit PandasTools.html 2.4 MB
4 -11 Data Analytics and Building a Dataset with RDKit PandasTools.ipynb 2.3 MB
4 -Data Analytics and Building a Dataset with RDKit PandasTools.mp4 105.2 MB
4 -new_silico.sdf 819.0 KB
4 -new_silico_dataset.xlsx 1.9 MB
4 -silico_dataset.csv 20.9 KB
5 -12 Applying Reactions with RDKit.html 425.2 KB
5 -12 Applying Reactions with RDKit.ipynb 150.6 KB
5 -Applying Reactions with RDKit.mp4 47.0 MB
6 -13 Rendering 3D Structures with py3Dmol.html 847.0 KB
6 -13 Rendering 3D Structures with py3Dmol.ipynb 577.3 KB
6 -Rendering 3D Structures with py3Dmol.mp4 256.4 MB
7 - Task interactive py3Dmol.html 1.6 KB
7 -interactive py3Dmol.html 283.2 KB
7 -interactive py3Dmol.ipynb 6.4 KB
7 -new_silico_dataset.xlsx 1.9 MB
1 - BONUS Lesson.html 2.0 KB
1 -Data Science in Chemistry Lecture Slides.pdf 1.2 MB
1 -Introduction to Data Science in Chemistry.mp4 57.7 MB
1 -Molecular Models Types Lecture Slides.pdf 357.1 KB
1 -Molecular Models Types.mp4 122.7 MB
1 -CHEMSTUDIO DEMO.pdf 190.0 KB
1 -Structure Representation and Line Notation.mp4 65.3 MB
1 -Structure Representation and Line Notations Lecture Notes.pdf 782.8 KB
2 - More Line Notations in Chemistry.html 1.0 KB
1 -Chemical File Formats.mp4 61.2 MB
1 -Chemical File Formats.pdf 606.4 KB
2 - Where to get MolSDF.html 1.6 KB
2 -Chemical File Conversion.mp4 59.9 MB
OpenBabel-3.1.1-x64.exe 36.9 MB
1 -Setting up and Getting Started with Jupyter Notebooks.mp4 72.5 MB
2 -Jupyter Notebook Versions.mp4 36.7 MB
1 -01_PubChemPy_Basics.html 336.7 KB
1 -01_PubChemPy_Basics.ipynb 79.0 KB
1 -Getting Started with PubChemPy.mp4 56.9 MB
2 -02_PubChemPy_Automation.html 329.6 KB
2 -02_PubChemPy_Automation.ipynb 85.8 KB
2 -Automating Chemical Data Retrieval with PubChemPy.mp4 115.0 MB
1 -03 ChemSpiPy-Basics-Advanced.html 360.7 KB
1 -03 ChemSpiPy-Basics-Advanced.ipynb 99.4 KB
1 -Accessing Chemical Data with ChemSpiPy.mp4 125.9 MB
1 -04 Openbabel-Pybel Basics-Automation.html 307.3 KB
1 -04 Openbabel-Pybel Basics-Automation.ipynb 25.0 KB
1 -Basics of Openbabel and Pybel.mp4 110.8 MB
2 -05 VIZ 3D_Str.html 328.4 KB
2 -05 VIZ 3D_Str.ipynb 70.8 KB
2 -Visualizing 3D Structures.mp4 35.1 MB
Bonus Resources.txt 386 bytes

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