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e3nn 0.19.0 improvements + eSCN #2

Merged
merged 12 commits into from
Jul 16, 2023
Merged

e3nn 0.19.0 improvements + eSCN #2

merged 12 commits into from
Jul 16, 2023

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gerkone
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@gerkone gerkone commented Jul 16, 2023 •
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  • adapted to the newest breaking changes from e3nn 0.19.0
  • added O3TensorProductSCN using e3nn.experimental.linear_shtp.shtp and a linear layer (not fully integrated)
  • removed pooling_irreps from segnn (graph task case)
  • changed the O3 layer structure
  • fixed the validation script (mistake in the loss wrapper function)

@gerkone gerkone merged commit a9f8af0 into main Jul 16, 2023
@gerkone gerkone deleted the tp-scn branch July 16, 2023 21:09
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