1.5.2

[a-r-j]

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 Buggy graph encoding #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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This discussion was created from the release 1.5.2.