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Combined display of all available logs of DISI. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
- 21:42, 20 September 2023 Omailhot talk contribs created page Olivier's way of computing novelty (Created page with "This is my lazy way of doing novelty calculations. '''Step 0: source my environment''' All I'm developing is part of a single Python package called bksltk (BKS-lab Toolkit). So just source my Python environment on gimel2 (or other gimelX which has Python3) and you'll have access to everything: source /nfs/home/omailhot/pyenv_source.sh Eventually the package will be better documented (and probably integrated into pydock). '''Step 1: get all knowns from ChEMBL''' H...")
- 23:03, 20 January 2023 Omailhot talk contribs uploaded File:Mor zoom example.gif
- 23:03, 20 January 2023 Omailhot talk contribs created page File:Mor zoom example.gif
- 22:19, 20 January 2023 Omailhot talk contribs uploaded File:Chembl mor3.png
- 22:19, 20 January 2023 Omailhot talk contribs created page File:Chembl mor3.png
- 22:19, 20 January 2023 Omailhot talk contribs uploaded File:Chembl mor2.png
- 22:19, 20 January 2023 Omailhot talk contribs created page File:Chembl mor2.png
- 22:19, 20 January 2023 Omailhot talk contribs uploaded File:Chembl mor1.png
- 22:19, 20 January 2023 Omailhot talk contribs created page File:Chembl mor1.png
- 21:53, 20 January 2023 Omailhot talk contribs created page File:Chemspace vis example.gif
- 21:53, 20 January 2023 Omailhot talk contribs uploaded File:Chemspace vis example.gif
- 00:40, 20 January 2023 Omailhot talk contribs uploaded File:Chemspace vis example1.png
- 00:40, 20 January 2023 Omailhot talk contribs created page File:Chemspace vis example1.png
- 00:38, 20 January 2023 Omailhot talk contribs created page Interactive ligands visualizer (Created page with "I (Olivier) put together this interactive visualizer to make sure that I don't miss out some chemotypes when coming up with actives at the start of a retrospective campaign. Starting from a downloaded ChEMBL CSV file for a list of ligands, images of each molecule are generated with RDKit and a text file with filtered Smiles is generated. You then need to compute the ECFP fingerprints on Gimel from that file (see below), and then a generated script will show an interactiv...")