News of 2025-04 Apr

From DISI
Revision as of 21:32, 5 May 2025 by Frodo (talk | contribs) (asdf)
Jump to navigation Jump to search
  • chemistry commons release
  • ab3 release
  • bioisosteres release
  • DOCK 3.8.5 release, as of 4/15/25.
  • >50% of mols now on Wynton again.
  • [a-m] on Wynton. (13/26). correct as of 4/16/25
  • sets, setsgimel, setswynton update around May 3, 2025.
  • all [M] anions on Wynton
  • all /a/ slices on Wynton. for rapid sample docking.
  • to dock 100% of ZINC, you use
  • setswynton (about 50-55% of ZINC-22) . run this on wynton
  • setsgimel (about 45-50% of ZINC-22). Run this on gimel2.
  • sets is what you would run if they were all on one machine. (they are, they are all on gimel2 and all on AWS, so you can run 100% of ZINC-22 in either of those two locations).
  • I hope this is clear.