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  1. spice_2_full_o10_softcore_no_zwitterions/processed/train/train_13.h5 +3 -0
  2. spice_2_full_o10_softcore_no_zwitterions/processed/train/train_14.h5 +3 -0
  3. spice_2_full_o10_softcore_no_zwitterions/processed/train/train_18.h5 +3 -0
  4. spice_2_full_o10_softcore_no_zwitterions/processed/train/train_25.h5 +3 -0
  5. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_0.h5 +3 -0
  6. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_10.h5 +3 -0
  7. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_14.h5 +3 -0
  8. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_18.h5 +3 -0
  9. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_2.h5 +3 -0
  10. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_21.h5 +3 -0
  11. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_22.h5 +3 -0
  12. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_3.h5 +3 -0
  13. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_5.h5 +3 -0
  14. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/QMugs_Default_9.h5 +3 -0
  15. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_11.h5 +3 -0
  16. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_12.h5 +3 -0
  17. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_14.h5 +3 -0
  18. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_15.h5 +3 -0
  19. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_19.h5 +3 -0
  20. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_2.h5 +3 -0
  21. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_22.h5 +3 -0
  22. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_24.h5 +3 -0
  23. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_4.h5 +3 -0
  24. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Amino Acid Ligand v1.0_Default_6.h5 +3 -0
  25. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES Monomers Single Points Dataset v1.1_Default_0.h5 +3 -0
  26. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES Monomers Single Points Dataset v1.1_Default_16.h5 +3 -0
  27. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES Monomers Single Points Dataset v1.1_Default_19.h5 +3 -0
  28. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES Monomers Single Points Dataset v1.1_Default_21.h5 +3 -0
  29. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES Monomers Single Points Dataset v1.1_Default_22.h5 +3 -0
  30. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES Monomers Single Points Dataset v1.1_Default_23.h5 +3 -0
  31. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES370K Single Points Dataset v1.0_Default_10.h5 +3 -0
  32. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES370K Single Points Dataset v1.0_Default_13.h5 +3 -0
  33. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES370K Single Points Dataset v1.0_Default_18.h5 +3 -0
  34. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES370K Single Points Dataset v1.0_Default_19.h5 +3 -0
  35. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES370K Single Points Dataset v1.0_Default_22.h5 +3 -0
  36. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES370K Single Points Dataset v1.0_Default_24.h5 +3 -0
  37. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE DES370K Single Points Dataset v1.0_Default_6.h5 +3 -0
  38. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_0.h5 +3 -0
  39. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_1.h5 +3 -0
  40. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_12.h5 +3 -0
  41. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_13.h5 +3 -0
  42. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_17.h5 +3 -0
  43. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_18.h5 +3 -0
  44. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_19.h5 +3 -0
  45. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_2.h5 +3 -0
  46. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_21.h5 +3 -0
  47. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_23.h5 +3 -0
  48. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_24.h5 +3 -0
  49. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_25.h5 +3 -0
  50. spice_2_full_o10_softcore_no_zwitterions/processed_new/test/SPICE Dipeptides Single Points Dataset v1.3_Default_6.h5 +3 -0
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