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  1. mace_large_organics_int/.score.json.swp +0 -0
  2. mace_large_organics_int/score.json +1 -1
  3. nequip_organics_int/bond_length_distribution/result.json +0 -0
  4. nequip_organics_int/conformer_selection/result.json +346 -0
  5. nequip_organics_int/dihedral_scan/result.json +0 -0
  6. nequip_organics_int/folding_stability/result.json +0 -0
  7. nequip_organics_int/noncovalent_interactions/result.json +0 -0
  8. nequip_organics_int/reactivity/result.json +0 -0
  9. nequip_organics_int/ring_planarity/result.json +0 -0
  10. nequip_organics_int/sampling/result.json +41 -0
  11. nequip_organics_int/scaling/result.json +124 -0
  12. nequip_organics_int/score.json +16 -0
  13. nequip_organics_int/small_molecule_minimization/result.json +252 -0
  14. nequip_organics_int/solvent_radial_distribution/result.json +0 -0
  15. nequip_organics_int/stability/result.json +41 -0
  16. nequip_organics_int/tautomers/result.json +0 -0
  17. nequip_organics_int/water_radial_distribution/result.json +4009 -0
  18. visnet_organics_int/score.json +4 -1
  19. visnet_organics_int/solvent_radial_distribution/result.json +0 -0
  20. visnet_organics_int/stability/result.json +41 -0
  21. visnet_organics_int/tautomers/result.json +0 -0
  22. visnet_reactive_bad_int/score.json +4 -1
  23. visnet_reactive_bad_int/solvent_radial_distribution/result.json +0 -0
  24. visnet_reactive_bad_int/stability/result.json +41 -0
  25. visnet_reactive_bad_int/tautomers/result.json +0 -0
  26. visnet_reactive_int/score.json +4 -1
  27. visnet_reactive_int/solvent_radial_distribution/result.json +0 -0
  28. visnet_reactive_int/stability/result.json +41 -0
  29. visnet_reactive_int/tautomers/result.json +0 -0
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The diff for this file is too large to render. See raw diff
 
visnet_organics_int/stability/result.json ADDED
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