@Brent Westbrook
@Lily Wang
Item
Presenter
Notes
Parameter molecules
Molecules generated – submitting to qca-dataset-submission asap
LW: next steps – splitting out torsions next step for 2.3
Additional dataset – a day or so
Create molecules instead of curating
Optimization dataset
Very close to being done
Close to submission
Dataset curation code
In Rust
Fragment database
Lower priority – longer term project