- Fixing outlier bug for negative t-values
- csv_test is treated separately from the test set from GENERATE
- Table of score thresholds in ROBERT_report.pdf
- Showing predictions at the end of the PREDICT section of ROBERT_report.pdf
- Adding --csv_test to AQME workflows
- Adding the --crest option to AQME workflows
- Auto adjusting the convergence criteria and xTB accuracy of QDESCP based on number
of datapoints