Dominique Sydow dominiquesydow
dominiquesydow
/ nglview_add_buffer.ipynb
Created
March 4, 2021 17:22
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| name: nglview_minimal | |
| channels: | |
| - conda-forge | |
| - defaults | |
| dependencies: | |
| # Base depends | |
| - python>=3.6 | |
| - jupyter | |
| - jupyterlab=2 | |
| - nodejs # Remove when using JLab3 |
dominiquesydow
/ fit_3d_cloud_to_plane_pca.ipynb
Created
August 5, 2020 14:39
Fit 3D point cloud to plane (PCA)
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dominiquesydow
/ biopython_qcpsuperimposer.ipynb
Created
August 3, 2020 13:14
Example: Structural alignment with biopython
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dominiquesydow
/ short_iterating_example.ipynb
Created
July 30, 2020 15:28
Super short example for iterating stuff
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dominiquesydow
/ read_from_bz2.ipynb
Created
July 27, 2020 12:00
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dominiquesydow
/ check_sdf_dummy_atoms.ipynb
Created
June 8, 2020 11:13
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dominiquesydow
/ rdkit_combine_multiple_molecules.ipynb
Created
March 19, 2020 11:00
Combine multiple molecules in RDKit
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dominiquesydow
/ chembl_activity.ipynb
Last active
February 6, 2020 09:39
Transform activity ChEMBL query results to DataFrame - first element twice?
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dominiquesydow
/ jupyterlab_extensions.sh
Last active
February 17, 2020 10:31
Jupyter Lab extentions list
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| # Jeremy Tuloup - A tour of JupyterLab extensions | |
| # https://mybinder.org/v2/gh/jtpio/a-tour-of-jupyterlab-extensions/master?urlpath=lab%2Ftree%2Fpresentation.ipynb | |
| # 1. jupyterlab-git | |
| # https://github.com/jupyterlab/jupyterlab-git | |
| jupyter labextension install @jupyterlab/git | |
| # 2. nbdime | |
| # https://github.com/jupyter/nbdime | |
| pip install nbdime |