Design of Second Generation Torsion Dataset

Contributors: @Hyesu Jang , @Jessica Maat (Deactivated) , @David Mobley , @Lee-Ping Wang

Here’s the list of QCArchive dataset names generated using the scheme;

TorsionDriveDataset	OptimizationDataset

TorsionDriveDataset	OptimizationDataset
`OpenFF Gen 2 Torsion Set 1 Roche 2` `OpenFF Gen 2 Torsion Set 2 Coverage 2` `OpenFF Gen 2 Torsion Set 3 Pfizer Discrepancy 2` `OpenFF Gen 2 Torsion Set 4 eMolecules Discrepancy 2` `OpenFF Gen 2 Torsion Set 5 Bayer 2` `OpenFF Gen 2 Torsion Set 6 supplemental 2`	`OpenFF Gen 2 Opt Set 1 Roche` `OpenFF Gen 2 Opt Set 2 Coverage` `OpenFF Gen 2 Opt Set 3 Pfizer Discrepancy` `OpenFF Gen 2 Opt Set 4 eMolecules Discrepancy` `OpenFF Gen 2 Opt Set 5 Bayer`