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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Clean up models and provide abstractions #83

Closed cthoyt closed 2 years ago

cthoyt commented 2 years ago

Summary

This PR does clean-up on many of the models I wasn't fast enough to get to before the PRs were merged

Changes

benedekrozemberczki commented 2 years ago

@cthoyt Tell me when you are ready and I will review and merge this PR.

cthoyt commented 2 years ago

@benedekrozemberczki I had a couple more things in mind but I suppose they can be done in a future PR. please take a look when you're ready