OpenFreeEnergy / IndustryBenchmarks2024

Repository for the 2024 OpenFE industry benchmark efforts
https://industrybenchmarks2024.readthedocs.io/en/latest/
MIT License
1 stars 5 forks source link

Notebook for visualizing the LigandNetwork graphml #60

Open IAlibay opened 3 weeks ago

IAlibay commented 3 weeks ago

It would be great to have a notebook we can point to for folks to look at the network they generated and the atom mappings within it.

Effectively we are looking for https://github.com/OpenFreeEnergy/ExampleNotebooks/blob/main/cookbook/ligandnetwork_vis.ipynb but with a graphml loading step.