Tweetovi

Blokirali ste korisnika/cu @RDKit_org

Jeste li sigurni da želite vidjeti te tweetove? Time nećete deblokirati korisnika/cu @RDKit_org

  1. 30. sij

    Save the date: the 2020 RDKit UGM is 6-8 October in Berlin, Germany. More details and registration info coming in a month or so.

    Poništi
  2. proslijedio/la je Tweet
    30. sij

    integrates really nicely with interactive widgets. Here's an example filtering predicted ligands for a target of interest by synthetic accessibility, drug-likeness, or similarity to prior art drugs

    Poništi
  3. 17. sij
    Poništi
  4. 1. sij

    Trying something new: a "year in review" blog post: Let me know what I missed that should be in there!

    Poništi
  5. proslijedio/la je Tweet
    17. pro 2019.

    I quickly put together a version of this using . Simply enter a SMILES string and your values as list and position the pie chart :) Prints out an SVG which you can edit in Inkscape or Illustrator.

    Poništi
  6. proslijedio/la je Tweet
    Poništi
  7. 25. lis 2019.

    New RDKit release: Conda binaries are available and the online docs have been updated. Enjoy!

    Poništi
  8. 23. lis 2019.
    Poništi
  9. proslijedio/la je Tweet
    7. lis 2019.

    Another Sunday, another column on Computer Aided Drug Design ( picture 1hvb). Pity the editors trimmed my code...

    Poništi
  10. proslijedio/la je Tweet
    29. ruj 2019.
    Poništi
  11. proslijedio/la je Tweet
    24. ruj 2019.

    new: "A general approach for retrosynthetic molecular core analysis"

    Table of Contents graphics of the article, showing three structures and a common substructure.
    Poništi
  12. 28. kol 2019.

    Just learned about this project: I'm not an Oracle user, but it looks cool and I can easily imagine this being useful to people who are!

    Poništi
  13. proslijedio/la je Tweet
    15. kol 2019.

    They said it would be out "real soon now" and it was. The latest 2019 Nuget package for DotNet was super-easy to install for our new version of HSPiP & induced 0 breaking changes from v2017, an amazing software accomplishment when there's so much new functionality. Thanks!

    Poništi
  14. 5. kol 2019.

    New RDKit blog post with a prototype of an interactive molecule widget for :

    Poništi
  15. 5. kol 2019.

    Thanks again for the contribution ! These "small" contributions are super helpful to the community and anyone can do it. That's one of the great things about .

    Poništi
  16. proslijedio/la je Tweet

    I started a new section on my website called "Mini-tools". The first Mini-tool is: "Building a Multi-Molecule Mol2 reader for "

    Poništi
  17. 17. srp 2019.

    Nice blog post with a beginner's perspective on getting started with the RDKit:

    Poništi
  18. proslijedio/la je Tweet
    11. srp 2019.

    We still have some space for the RDKit/KNIME and RDKit/Python courses at the UGM. If you're going to be there and are interested, please register for the waiting list of the one you want to attend:

    Poništi
  19. 7. srp 2019.

    RDKit blog post looking at using Intake to catalog and work with chemistry data.

    Poništi
  20. 4. srp 2019.

    The coolest part of this post is the work that recently contributed.

    Prikaži ovu nit
    Poništi

Čini se da učitavanje traje već neko vrijeme.

Twitter je možda preopterećen ili ima kratkotrajnih poteškoća u radu. Pokušajte ponovno ili potražite dodatne informacije u odjeljku Status Twittera.

    Možda bi vam se svidjelo i ovo:

    ·