networkx

How to Get Started with NetworkX for Catalysis?

To get started with NetworkX, you can install the library using pip and explore its extensive documentation and tutorials. Specific to catalysis, you may want to start by modeling simple reaction networks and gradually incorporate more complexity as you become comfortable with the tool:
pip install networkx
Once installed, you can create and manipulate networks with just a few lines of code:
import networkx as nx
# Create a new graph
G = nx.Graph()
# Add nodes (chemical species)
G.add_node('A')
G.add_node('B')
# Add an edge (reaction)
G.add_edge('A', 'B')
By exploring these features, you can leverage NetworkX to gain deeper insights into catalytic processes and enhance your research outcomes.

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