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Create a QM dataset from an existing chemical structure databases running optimization, torsion-drive, and *new* electronic property calculation types. Datasets will be split into two sets, those with metal centers of primary interest and those of secondary interest. Those of secondary interest will only be run with OPT calculation with GFN2-XTB. Those of primary interest will be run with a target level of theory, to be determined in this work, and have the target electronic properties evaluated.

To achieve this the standard OpenFF QCA dataset submission pipeline must be adapted in multiple ways.

1. Address incompatibility with existing OpenFF infrastructure with Organometallic CMILES

2. Add ability for conformers to be imported into qc-submit

3. Create new dataset type with relevant properties.