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Interaction layer specific settings #92
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LarsSchaaf
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… edge_mask over batches
…rch geometric hack
@LarsSchaaf What do you think is needed for the clean up before merging this? |
Should we implement as part of tis PR the central atom dependent cutoff? |
yes that's a good place |
We were discussing the implementation of layer specific number of channels. Would this be a good place to put it? Is this PR planned to be merged in the near future? |
yes it is a good place for a fork to develop that |
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This commit allows for the cutoff and correlation order to be different for different message passing layers.
correlation
andr_max
now accepts a list of lengthnum_interactions
.eg.