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timkucera committed Nov 24, 2023
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## Filestructure:

**backend:** Collects and processes raw pdb files from various databases. Creates Collections.
**adapters:** Database adapters to PDB, AFDB, etc.
**protein:** The protein object specification.
**collection:** A set of protein objects.
**database:*** Unifying database mirror that allows query access to create a collection.
**frontend:** High level specifications for datasets and tasks.
**datasets:** Load a collection and apply transforms.
**tasks:** Various ML prediction problems. Takes a dataset and rearranges the data (sklearn-style X_train, y_train, ...) such that it can be fed to the model (X) and evaluated (y).
**evaluators:** Groups relevant metrics for a given class of problems (e.g. classification or regression).
**splitters:** Takes a dataset and generates split indices, either from the data/labels itself or from other resources.
**datasets:** Some relevant collections of proteins, for preprocessed hosting. Each dataset covers some biological topic.
**tasks:** The actually implemented biological tasks for the end-user, consisting of a frontend.task in combination with a specific dataset.
**transforms:** Various functions to transform proteins, representations, and frameworks.
**backend:** Collects and processes raw pdb files from various databases. Creates Collections.

**adapters:** Database adapters to PDB, AFDB, etc.

**protein:** The protein object specification.

**collection:** A set of protein objects.

**database:*** Unifying database mirror that allows query access to create a collection.

**frontend:** High level specifications for datasets and tasks.

**datasets:** Load a collection and apply transforms.

**tasks:** Various ML prediction problems. Takes a dataset and rearranges the data (sklearn-style X_train, y_train, ...) such that it can be fed to the model (X) and evaluated (y).

**evaluators:** Groups relevant metrics for a given class of problems (e.g. classification or regression).

**splitters:** Takes a dataset and generates split indices, either from the data/labels itself or from other resources.

**datasets:** Some relevant collections of proteins, for preprocessed hosting. Each dataset covers some biological topic.

**tasks:** The actually implemented biological tasks for the end-user, consisting of a frontend.task in combination with a specific dataset.

**transforms:** Various functions to transform proteins, representations, and frameworks.

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