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graphkit-learn
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graphkit-learn/datasets/Alkane/molecule002.ct

molecule002.ct 98 B
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add datasets and remove some files not needed.
6 years ago
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  1. molecule1.ct

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  3.    -0.7500    0.0000    0.0000 C

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