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  • ['TIG0', 'TIG1a', 'TIG1b'] - General torsions

  • ['TIG1c', 'TIG1d', 'TIG2', 'TIG3', 'TIG4', 'TIG5a', 'TIG5b', 'TIG6', 'TIG7', 'TIG8'] - interpolated

Targets:

  1. 'Fragment Stability Benchmark'

  2. 'OpenFF Gen 2 Torsion Set 1 Roche 2'

  3. 'OpenFF Gen 2 Torsion Set 2 Coverage 2'

  4. 'OpenFF Gen 2 Torsion Set 3 Pfizer Discrepancy 2'

  5. 'OpenFF Gen 2 Torsion Set 4 eMolecules Discrepancy 2'

  6. 'OpenFF Gen 2 Torsion Set 5 Bayer 2'

  7. 'OpenFF Gen 2 Torsion Set 6 Supplemental 2'

  8. 'OpenFF Group1 Torsions'

  9. 'OpenFF Group1 Torsions 2'

  10. 'OpenFF Group1 Torsions 3'

  11. 'OpenFF Rowley Biaryl v1.0'

  12. 'OpenFF Substituted Phenyl Set 1'

  13. 'OpenFF-benchmark-ligand-fragments-v1.0'

  14. 'SMIRNOFF Coverage Torsion Set 1'

...