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Update website (2021 collection + open website disclaimer) #207

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Dec 17, 2021
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Update website (2021 collection + open website disclaimer) #207

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e99351c
Add 2021 edition collection to website
dominiquesydow Dec 17, 2021
f2ac4c5
Add "free website, no login" disclaimer to website index
dominiquesydow Dec 17, 2021
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2 changes: 2 additions & 0 deletions docs/index.rst
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Expand Up @@ -6,6 +6,8 @@
TeachOpenCADD
=============

This website is free and open to all users and there is no login requirement!

Open source programming packages for cheminformatics and structural bioinformatics are powerful tools to build modular, reproducible, and reusable pipelines for computer-aided drug design (CADD). While documentation for such tools is available, only few freely accessible examples teach underlying concepts focused on CADD applications, addressing especially users new to the field.

TeachOpenCADD is a teaching platform developed by students for students, which provides teaching material for central CADD topics. Since we cover both the theoretical as well as practical aspect of these topics, the platform addresses students and researchers with a biological/chemical as well as a computational background.
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28 changes: 25 additions & 3 deletions docs/talktorials.rst
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Expand Up @@ -3,13 +3,13 @@ Talktorials by collection

Our *talktorials* (portmanteau for *talk* and *tutorial*) address many topics central to computer-aided drug design. We have prepared some *collections* which group our :doc:`extensive list of talktorials <all_talktorials>` into cohesive lessons that deal with one of those topics, including cheminformatic, online queries and structural biology. Enjoy!

JCIM 2019
---------
Edition 2019 - JCIM
-------------------

Talktorials as presented in the original `JCIM 2019 article <https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0351-x>`_:

.. nbgallery::
:name: jcim2019
:name: edition2019

talktorials/T001_query_chembl.nblink
talktorials/T002_compound_adme.nblink
Expand All @@ -22,6 +22,28 @@ Talktorials as presented in the original `JCIM 2019 article <https://jcheminf.bi
talktorials/T009_compound_ensemble_pharmacophores.nblink
talktorials/T010_binding_site_comparison.nblink

Edition 2021
------------

Talktorials of the second major release as presented in the `ChemRxiv preprint <https://doi.org/10.26434/chemrxiv-2021-8x13n>`_:

.. nbgallery::
:name: edition2021

talktorials/T011_query_online_api_webservices.nblink
talktorials/T012_query_klifs.nblink
talktorials/T013_query_pubchem.nblink
talktorials/T014_binding_site_detection.nblink
talktorials/T015_protein_ligand_docking.nblink
talktorials/T016_protein_ligand_interactions.nblink
talktorials/T017_advanced_nglview_usage.nblink
talktorials/T018_automated_cadd_pipeline.nblink
talktorials/T019_md_simulation.nblink
talktorials/T020_md_analysis.nblink
talktorials/T021_one_hot_encoding.nblink
talktorials/T022_ligand_based_screening_neural_network.nblink


Ligand-based cheminformatics
----------------------------

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