Compound library tool seems broken

Started by manu8170

manu8170 Lv 1

Puzzle 2378, Foldit V27-20231107-bf2010e64e-win_x64: I uploaded 2 small molecules. Both of them result in an "Error" in compound library, after a long running time.
When a molecule is flagged as "Error", impossible to submit it again: the immediate result is "Error".
I tried to restart Foldit, but it doesn't change anything.

jeff101 Lv 1

Puzzle 2378's starting ligand w/score 19504.924 +6250 and small molecule properties 298.733 21 1 5 3.173 4 3 0 59.81 from top to bottom gives a library containing 25 hits. Hit #1 is an exact match. If you can load this library, you can explore the compounds in it until the rest of the library is working again.

rmoretti Staff Lv 1

The ZINC search site should be back up and running now, so newly submitted compounds should now work. There may be some older compounds which still return cached errors – we'll look into cleaning those out.

jeff101 Lv 1

That's good news about the ZINC site. So far tonight in puzzle 2378, the compound library has given me non-Error results for 7 new compounds. 5 of them gave no hits, but the other 2 each gave 20+ hits.

If an older compound returned a cached error, will your cleaning process change the cached errors to 0 or more hits? Will we have to re-send those older compounds to the library to find their hits? Please keep us posted, and thanks for your efforts regarding this.

rmoretti Staff Lv 1

When the cached errors get cleared out and re-run, you should automatically see the new updated results for already-submitted compounds.

LociOiling Lv 1

I'm not seeing the cache being cleared. When I resubmit a compound that got "error" on a previous run, a new "error" is returned immediately.

LociOiling Lv 1

After a few more tries over 24+ hours, the compound I was submitting finally returned results instead of "error".