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  1. .gitattributes +2 -0
  2. SPICE_v2_train.xyz +3 -0
  3. processed_maceoff_scf_spice_2/test/SPICE Amino Acid Ligand v1.0_10.h5 +3 -0
  4. processed_maceoff_scf_spice_2/test/SPICE Amino Acid Ligand v1.0_16.h5 +3 -0
  5. processed_maceoff_scf_spice_2/test/SPICE DES Monomers Single Points Dataset v1.1_13.h5 +3 -0
  6. processed_maceoff_scf_spice_2/test/SPICE DES Monomers Single Points Dataset v1.1_15.h5 +3 -0
  7. processed_maceoff_scf_spice_2/test/SPICE DES Monomers Single Points Dataset v1.1_22.h5 +3 -0
  8. processed_maceoff_scf_spice_2/test/SPICE DES Monomers Single Points Dataset v1.1_5.h5 +3 -0
  9. processed_maceoff_scf_spice_2/test/SPICE DES370K Single Points Dataset v1.0_10.h5 +3 -0
  10. processed_maceoff_scf_spice_2/test/SPICE DES370K Single Points Dataset v1.0_13.h5 +3 -0
  11. processed_maceoff_scf_spice_2/test/SPICE DES370K Single Points Dataset v1.0_20.h5 +3 -0
  12. processed_maceoff_scf_spice_2/test/SPICE DES370K Single Points Dataset v1.0_5.h5 +3 -0
  13. processed_maceoff_scf_spice_2/test/SPICE DES370K Single Points Dataset v1.0_9.h5 +3 -0
  14. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 1 Single Points Dataset v1.3_17.h5 +3 -0
  15. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 1 Single Points Dataset v1.3_2.h5 +3 -0
  16. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 1 Single Points Dataset v1.3_4.h5 +3 -0
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  24. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 4 Single Points Dataset v1.3_27.h5 +3 -0
  25. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 4 Single Points Dataset v1.3_29.h5 +3 -0
  26. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 4 Single Points Dataset v1.3_4.h5 +3 -0
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  28. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 5 Single Points Dataset v1.3_17.h5 +3 -0
  29. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 5 Single Points Dataset v1.3_21.h5 +3 -0
  30. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 5 Single Points Dataset v1.3_24.h5 +3 -0
  31. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 5 Single Points Dataset v1.3_28.h5 +3 -0
  32. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 6 Single Points Dataset v1.3_0.h5 +3 -0
  33. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 6 Single Points Dataset v1.3_15.h5 +3 -0
  34. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 6 Single Points Dataset v1.3_16.h5 +3 -0
  35. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 6 Single Points Dataset v1.3_18.h5 +3 -0
  36. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 6 Single Points Dataset v1.3_7.h5 +3 -0
  37. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 6 Single Points Dataset v1.3_9.h5 +3 -0
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  41. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 8 Single Points Dataset v1.0_22.h5 +3 -0
  42. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 8 Single Points Dataset v1.0_27.h5 +3 -0
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  44. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 8 Single Points Dataset v1.0_6.h5 +3 -0
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  47. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 9 Single Points Dataset v1.0_13.h5 +3 -0
  48. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 9 Single Points Dataset v1.0_20.h5 +3 -0
  49. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 9 Single Points Dataset v1.0_23.h5 +3 -0
  50. processed_maceoff_scf_spice_2/test/SPICE PubChem Set 9 Single Points Dataset v1.0_29.h5 +3 -0
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