Hi,
I am a PhD student in Computer Science field. I am trying to convert some graph
datasets that I've found, however I am not sure which OpenBabel format can be
more suitable (I am very new to all of the formats listed in OpenBabel). I only
need the following information:
- Adjacency matrix or adjacency list for each graph
- Label information for each node in a graph (for labeled graphs)
- Class (+1/-1) information for each graph for classification
I've found some datasets in .mol and .sdf formats (for example, Bursi dataset:
http://cheminformatics.org/datasets/bursi/) and I can view them with OpenBabel,
however I am not sure which format I can convert in order to simply get an
adjacency matrix.
Any help/pointers for that matter is appreciated.
Thanks,
ev
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