equivariant_electron_density
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JoshRackers
environment
This is an excellent work. There is a question, Can you provide the necessary environment configuration for this project。
Sorry I haven't provided a proper environment config for this! I need to fix this. In the meantime, you can grab the dependancies listed in the top of this tutorial I put together a while a go.
The dependencies should be:
- torch-geometric
- e3nn
- wandb
- plotly
- gau2grid
Hopefully this helps!
