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choderalab / espfit Public

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fix _remove_node_features from removing u_ref_relative#3

Merged

kntkb merged 4 commits intomainchoderalab/espfit:mainfrom fix/reshape_conformation_sizechoderalab/espfit:fix/reshape_conformation_sizeCopy head branch name to clipboard

Mar 14, 2024

+15-5

Conversation Commits4 (4)Checks Files changed

Commits

Commits on Mar 14, 2024

fix _remove_node_features from removing u_ref_relative
kntkb
committed
minor fix
kntkb
committed
add compute_relative before reshape_conformation_size
kntkb
committed
multiply loss by 100 when exporting log to improve readability
kntkb
committed

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