rekumar / labgraph

A graph database tool for experimental data in materials science and chemistry.

pip install labgraph-db

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.

I gave a talk on Labgraph at the 2023 Spring meeting for the Materials Research Society. You can view the slides here, though the animations don't work. They key point is that we use labgraph as a central database to coordinate our automated lab like so:

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!