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graphkit-learn
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graphkit-learn/datasets/Alkane/molecule005.ct

molecule005.ct 188 B
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add datasets and remove some files not needed.
6 years ago
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  1. molecule4.ct

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  3.    -1.9486    0.3750    0.0000 C

  4.    -0.6495   -0.3750    0.0000 C

  5.     0.6495    0.3750    0.0000 C

  6.     1.9486   -0.3750    0.0000 C

  7. 1 2  1  1

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