clacri / iucr2020_compschool

This will contain materials for the IUCr computing school held in September 2021

iucr2020_compschool

This contains the materials for the IUCr computing school to be held in September 2021

Sessions Wednesday

GitHub workflow - Simon

The task in this tutorial is to make a PR into this GitHub repository (https://github.com/clacri/iucr2020_compschool)

Python Packaging - Simon

Contains a colab notebook

• Open packaging_tutorial.ipynb in Colab

massimo_graphs

Contains a colab notebook for the networkX graph analysis

• Open Networkx.ipynb in Colab

christopher_cctbx

A colab notebook to demo high level features of cctbx

• Open Databases_computing_school.ipynb in Colab

Sessions Thursday

arkadiy eigenvalues 101

• Open Tutorial_1_matrices,_vectors,_calcualte_eigenvalue.ipynb in Colab

• Open Tutorial_2_eigenvalues_of_1d_molecule.ipynb in Colab

• Open Exercise_3_Singular_Value_Decomposition.ipynb in Colab

• Open Exercise_4_eigenvalue_repulsion.ipynb in Colab

Sessions Friday

crysthack_day3_martin

Contains all code required for Martin Maly practical.

crysthack_day3_gemma

Contains the data for the practical exercises from Gemma

crysthack_day3_simon

Contains a colab notebook

• Open diffpy-cmi.ipynb in Colab

boyle_coset

Contains all code required for Paul Boyle practical.

randy_covariance

Contains a colab notebook

• Open CovarianceMatrices.ipynb in Colab

simon_nmf

Contains a colab notebook

• Open nmf_example.ipynb in Colab

iracema_databases

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