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fix _remove_node_features from removing u_ref_relative #3

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merged 4 commits into from
Mar 14, 2024

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kntkb
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@kntkb kntkb commented Mar 14, 2024

Description

Fix g.nodes['g'].data['u_ref_relative'] from being deleted during espfit.utils.graphs.reshape_conformation_size

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kntkb commented Mar 14, 2024

Test failure due to missing openeye-toolkit license.

@kntkb kntkb merged commit 205df00 into main Mar 14, 2024
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