Jeffrey Wagner will tell John Chodera NOT to submit 50k dataset, or to submit at LOW PRIORITY. We will need bandwidth for this submission
Jessica Maat (Deactivated)Hyesu Jang will coordinate to work together on this in the coming weeks. Target date for submission is March 20th
Joshua Horton will make a checklist for pre-submission (bond orders requested, CMILES attached)

Submission checklist

Ensure all submissions have cmiles, most important are mapped hydrogen smiles
Ensure the WBO is requested for all submissions, this should be included in the scf properties list using the flag wiberg_lowdin_indices
If any calculations are to be redone from another collection re-use the old input (coordinates, atom ordering etc) used as this will avoid running the calculation again and will just create new references in the database to the old results and should help keep the cost of the calculations down.

Decisions