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graphkit-learn
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graphkit-learn/datasets/Monoterpenoides/145.ct

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Change names of datasets.
5 years ago
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  1. 

  2.  11 10

  3.   -10.2455    8.4598    0.0000 C

  4.    -9.5311    8.8723    0.0000 C

  5.   -10.9600    8.8723    0.0000 C

  6.    -8.8166    8.4598    0.0000 C

  7.    -9.5311    9.6973    0.0000 C

  8.    -8.1021    8.8723    0.0000 C

  9.    -7.3877    8.4598    0.0000 C

  10.    -8.1021    9.6973    0.0000 C

  11.    -8.8166   10.1098    0.0000 C

  12.   -10.2455   10.1098    0.0000 C

  13.    -7.3877    7.6348    0.0000 O

  14.    1    2    1    1

  15.    1    3    2    2

  16.    2    4    1    1

  17.    2    5    1    1

  18.    4    6    2    2

  19.    6    7    1    1

  20.    6    8    1    1

  21.    5    9    1    1

  22.    5   10    2    2

  23.    7   11    1    1

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