Ringtail

What's Changed

- Optimized SQLite queries for significantly improved filtering speed (see comparison below)
- `--summary` option to give overview of results contained in database
- Ligand clustering by Morgan Fingerprint chemical similarity (`--mfpt_cluster`)
- Ligand clustering by receptor interaction fingerprint similarity (`--interaction_cluster`)
- Enabled export of stored PDBQT from database
- Minor bug fixes

Example Filtering Timings (M1Pro MacBook, ~2 million ligands)

Initial public release for Ringtail
- Provided storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
- Stores, filters, and exports results with SQLite