AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
https://chemicalx.readthedocs.io
Apache License 2.0
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Add base model and implement model class resolution #18

Closed cthoyt closed 2 years ago

cthoyt commented 2 years ago

Summary

This PR implements a base model for all DDI models where we can keep shared code (it can later be subclassed based on the different tasks or to create meaningful abstractions between models that share concepts). It then uses the class-resolver package for lookup of models, which is how we made the pipeline() function in PyKEEN that I think will go well in this package too.

Changes

benedekrozemberczki commented 2 years ago

Sorry @cthoyt could you pull again and I will merge!