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graphkit-learn
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graphkit-learn/datasets/Alkane/molecule022.ct

molecule022.ct 326 B
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add datasets and remove some files not needed.
6 years ago
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  1. molecule02.1.ct

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  3.    -3.8971   -0.3750    0.0000 C

  4.    -2.5981    0.3750    0.0000 C

  5.    -1.2990   -0.3750    0.0000 C

  6.     0.0000    0.3750    0.0000 C

  7.     1.2990   -0.3750    0.0000 C

  8.     2.5981    0.3750    0.0000 C

  9.     3.8971   -0.3750    0.0000 C

  10. 1 2  1  1

  11. 2 3  1  1

  12. 3 4  1  1

  13. 4 5  1  1

  14. 5 6  1  1

  15. 6 7  1  1

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