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graphkit-learn
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graphkit-learn/datasets/Alkane/molecule019.ct

molecule019.ct 325 B
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add datasets and remove some files not needed.
6 years ago
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  1. molecule018.ct

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  3.     3.2476   -1.1250    0.0000 C

  4.     1.9486   -0.3750    0.0000 C

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  7.    -1.9486   -1.1250    0.0000 C

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  9.     1.9486    1.1250    0.0000 C

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