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@a-r-j a-r-j released this 19 Sep 16:38
· 103 commits to master since this release
v1.5.2
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Learn about vigilant mode.

1.5.2 - 19/9/2022

Protein

  • [Bugfix] - #206 Fixes KeyError when using graphein.protein.edges.distance.node_coords
  • [Bugfix] - Includes missing data files in MANIFEST.in #205

GRN

  • [Bugfix] - #208 - Resolves SSL issues with RegNetwork.

ML

  • [Feature] - #208 support for loading local pdb files by ProteinGraphDataset and InMemoryProteinGraphDataset.

by adding a params:pdb_paths and set the self.raw_dir to the root path(self.pdb_path) of pdb_paths list (the root path should be only one, pdb files should be under the same folder).

it allows loading pdb files from the self.pdb_path instead of loading from self.raw.
If you wish to download from af2 or pdb, just set pdb_paths to None and it goes back to the former version.

CI

  • [Bugfix] - #208 explicitly installs jupyter_contrib_nbextensions in Docker.
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