David L. Dotson

Correction: 'INCOMPLETE's for this dataset appear to be few, and they are currently coming from PRP. It's the Gen 2 Torsion sets that feature many `INCOMPLETE`s that appear to be...

## OpenFF Gen 2 Opt Set 1 Roche No unfinished Optimizations, but 4 `NaN`s present: ``` Cc1ccccc1OC2CCCCC2-0a NaN Cc1ccccc1OC2CCCCC2-1a NaN Cc1ccccc1OC2CCCCC2-2a NaN Cc1ccccc1OC2CCCCC2-3a NaN ``` ## OpenFF Gen 2 Opt...

No Optimization `ERROR` or `INCOMPLETE` states observed. 3 TorsionDrive `ERROR` states restarted.

0 `INCOMPLETE` Optimizations 0 `ERROR` Optimizations 3 `ERROR` TorsionDrives; restarted: ``` TorsionDriveRecord(id='3745388', status='ERROR') TorsionDriveRecord(id='3745481', status='ERROR') TorsionDriveRecord(id='3745569', status='ERROR') ```

3 `INCOMPLETE` Optimization states observed running on Lilac. 4 `ERROR` Optimization states observed: ``` There are 1 instances of ------------------------------------- geomeTRIC run_json error: Traceback (most recent call last): File "/opt/conda/envs/qcfractal/lib/python3.6/site-packages/geometric/run_json.py",...

7 `INCOMPLETE` Optimizations running on Lilac, PRP, UCI - all 6 days to a month old. We need to clear these. 0 `ERROR` Optimizations 0 `ERROR` TorsionDrives

All optimization tasks with state 'ERROR' have been restarted for the Gen 2 Torsion series of collections, both the first series and series 2. All torsiondrive services with state 'ERROR'...

Thanks for relaying this to us @jchodera. We weren't aware of this pain point, and speaking for myself I tend to do a `grep -r ""` to get back which...

Ah, this is something I didn't catch as the reviewer. Apologies all. I will take this one on and create a new dataset that subsumes these multiple specs into a...

Closing since #100 addresses this. Thanks @trevorgokey!