Skip to content
Snippets Groups Projects
  1. Mar 20, 2024
  2. Feb 16, 2024
  3. Feb 05, 2024
  4. Feb 02, 2024
  5. Feb 01, 2024
  6. Dec 08, 2023
  7. Nov 22, 2023
  8. Sep 20, 2023
  9. Aug 11, 2023
  10. Aug 09, 2023
  11. Jul 24, 2023
  12. Jun 02, 2023
  13. May 31, 2023
  14. May 30, 2023
  15. May 26, 2023
  16. May 25, 2023
  17. May 24, 2023
  18. May 02, 2023
    • Xavier Robin's avatar
      fix: remove H with selection rather than Molck · 2427d5b2
      Xavier Robin authored
      This makes the ligand scoring script more independent of an up-to-date
      compound library, which is a strong requirement of Molck.
      This was a problem for the April 2023 Modeling Championship where the
      script was run with an out of date library and the element of an atom of
      the ligand was silently changed, preventing the symmetry correction to
      find isomorphisms and resulting in the absence of scores.
      2427d5b2
  19. Mar 16, 2023
  20. Mar 13, 2023
  21. Mar 10, 2023
  22. Mar 06, 2023
  23. Mar 03, 2023
Loading