QC Torsiondrive Dataset: OpenFF Rowley Biaryl v1.0

This is a TorsionDrive dataset consisting of biaryl torsions provided by Christopher Rowley. Originally used to benchmark OpenFF SMIRNOFF Parsley, but could also be useful for fitting. Additional details can be found in the OpenFF QCA Dataset Submission page for this dataset. General Information * Description: A torsiondrive dataset of biaryl molecules. * Purpose: Torsiondrives of biaryl molecules. * Name: OpenFF Rowley Biaryl v1.0 * Dataset ID: 283 * Submitter: joshuahorton * Number of unique molecules: 87 * Number of torsion drives: 87 * Molecular weight (min, mean, max): 143.07, 167.02, 234.09 * Charges: 0.0, 1.0 * Elements: C, H, N, O, S