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AIDS_label_readme.txt 628 B

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  1. Node labels: [symbol]
  2. Node attributes: [chem, charge, x, y]
  3. Edge labels: [valence]
  4. Node labels were converted to integer values using this map:
  5. Component 0:
  6. 0 C
  7. 1 O
  8. 2 N
  9. 3 Cl
  10. 4 F
  11. 5 S
  12. 6 Se
  13. 7 P
  14. 8 Na
  15. 9 I
  16. 10 Co
  17. 11 Br
  18. 12 Li
  19. 13 Si
  20. 14 Mg
  21. 15 Cu
  22. 16 As
  23. 17 B
  24. 18 Pt
  25. 19 Ru
  26. 20 K
  27. 21 Pd
  28. 22 Au
  29. 23 Te
  30. 24 W
  31. 25 Rh
  32. 26 Zn
  33. 27 Bi
  34. 28 Pb
  35. 29 Ge
  36. 30 Sb
  37. 31 Sn
  38. 32 Ga
  39. 33 Hg
  40. 34 Ho
  41. 35 Tl
  42. 36 Ni
  43. 37 Tb
  44. Edge labels were converted to integer values using this map:
  45. Component 0:
  46. 0 1
  47. 1 2
  48. 2 3
  49. Class labels were converted to integer values using this map:
  50. 0 a
  51. 1 i

A Python package for graph kernels, graph edit distances and graph pre-image problem.