This contains the materials for the IUCr computing school to be held in September 2021
The task in this tutorial is to make a PR into this GitHub repository (https://github.com/clacri/iucr2020_compschool)
Contains a colab notebook
- Open packaging_tutorial.ipynb in Colab
Contains a colab notebook for the networkX graph analysis
- Open Networkx.ipynb in Colab
A colab notebook to demo high level features of cctbx
- Open Databases_computing_school.ipynb in Colab
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Open Tutorial_1_matrices,_vectors,_calcualte_eigenvalue.ipynb in Colab
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Open Tutorial_2_eigenvalues_of_1d_molecule.ipynb in Colab
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Open Exercise_3_Singular_Value_Decomposition.ipynb in Colab
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Open Exercise_4_eigenvalue_repulsion.ipynb in Colab
Contains all code required for Martin Maly practical.
Contains the data for the practical exercises from Gemma
Contains a colab notebook
- Open diffpy-cmi.ipynb in Colab
Contains all code required for Paul Boyle practical.
Contains a colab notebook
- Open CovarianceMatrices.ipynb in Colab
Contains a colab notebook
- Open nmf_example.ipynb in Colab
Contains a colab notebook as well as the pdf version of her slides and a csv dataset required for the tutorial
- Open Databases_computing_school.ipynb in Colab