New databases Feb 2026

From DISI
Jump to navigation Jump to search

We are indexing two new databases in Feb 2026.


XtalPi

OnePot

Notes

  • These are currently both searchable in swcc.docking.org
  • A large number are not indexed in SW. This means not findable in smallworld until we create anonymous graphs.
  • It also means: a lot of new molecular structures not previously seen. This is good news.
  • We are also making it searchable in Smallworld, where it will be searchable right away (just after I finish indexing it)
  • for now, you can search these databases and look for analogs of your compounds.
  • many compounds should be inexpensive and fast to deliver. Please let me know your experience.
  • If anyone has access to Hitgen HGODEL and can help me get access to their libraries of 1 trillion, I would be grateful.