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torchmd / torchmd-net Public

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Support for tensor outputs in TensorNet#196

Open

RaulPPelaez wants to merge 7 commits intotorchmd:maintorchmd/torchmd-net:mainfrom

RaulPPelaez:tensor_outputRaulPPelaez/torchmd-net:tensor_outputCopy head branch name to clipboard

Conversation Commits7 (7)Checks Files changed

Open

Support for tensor outputs in TensorNet#196
RaulPPelaez wants to merge 7 commits intotorchmd:mainfrom
RaulPPelaez:tensor_output

Commits

Commits on Jun 28, 2023

Add equivariance tests for TensorNet
RaulPPelaez
committed
Fix bug in Interaction
RaulPPelaez
committed
Fix TensorNet return
RaulPPelaez
committed
Make atomref understand a tuple of tensors as second output of the
RaulPPelaez
committed
Lower tolerance a bit in equivariance test
RaulPPelaez
committed

Commits on Jun 29, 2023

small change in post_reduce output notation for consistency
guillemsimeon
authored
fix typo
guillemsimeon
authored

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