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A library for storing experimental materials science data as graphs using MongoDB.

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LabGraph: a graph-based schema for storing experimental data for chemistry and materials science.

Warning This project is still under development!

This library defines a graph-based schema for storing materials science data.

You can read the (evolving) documentation here.

Additional Dependencies

  • A Sample graph can be plotted within Python using Sample.plot(). The default networkx plotting layouts can be pretty confusing to interpret. If you install graphviz, labgraph will instead use graphviz to design the graph layout in a hierarchical fashion. This only affects plotting, but if you are relying on this functionality it can make a big difference!

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