Molgraph

Latest version: v0.8.1

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0.8.1

- `molgraph.chemistry.molecular_encoders`
- Fix bug in `MolecularGraphEncoder3D`. Now uses BFS to find (a single) shortest path from node i to node j. Consequently, only one edge exist between node i and node j. Previous implementation did (1) not use the shortest path, and (2) added multiple edges between node i and node j to the `GraphTensor`.

0.8.0

- Make `molgraph` compatible with `Python>3.10` and `TensorFlow>2.15`.
- For `tensorflow>2.15` make sure to set `TF_USE_LEGACY_KERAS=1`.

0.7.11

- Update `PeptideModel` of `molgraph.applications.proteomics`.

0.7.10

- Make `Python 3.10.*` a requirement.

0.7.8

Minor features and improvements
- `molgraph.layers`
- Added layer `UpdateField`.

0.7.7

Bug fixes
- `molgraph.applications.proteomics`
- Fix some bugs, and update default config.

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