You can not select more than 25 topics Topics must start with a chinese character,a letter or number, can include dashes ('-') and can be up to 35 characters long.

molecule145.ct 462 B

123456789101112131415161718192021
  1. molecule144.ct
  2. 10 9
  3. -4.5466 1.1250 0.0000 C
  4. -4.5466 -0.3750 0.0000 C
  5. -3.2476 -1.1250 0.0000 C
  6. -1.9486 -0.3750 0.0000 C
  7. -0.6495 -1.1250 0.0000 C
  8. 0.6495 -0.3750 0.0000 C
  9. 1.9486 -1.1250 0.0000 C
  10. 3.2476 -0.3750 0.0000 C
  11. 4.5466 -1.1250 0.0000 C
  12. -1.9486 1.1250 0.0000 C
  13. 1 2 1 1
  14. 2 3 1 1
  15. 3 4 1 1
  16. 4 5 1 1
  17. 5 6 1 1
  18. 6 7 1 1
  19. 7 8 1 1
  20. 8 9 1 1
  21. 4 10 1 1

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