AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

https://chemicalx.readthedocs.io

Apache License 2.0

702 stars 89 forks source link

Batch Generator Defaults #47

Closed benedekrozemberczki closed 2 years ago

benedekrozemberczki commented 2 years ago

Summary

Adds defaults to the Batch Generator
[ ] Code passes all tests
[ ] Unit tests provided for these changes
[ ] Documentation and docstrings added for these changes

Changes

Default parameters to the batch generator.

cthoyt commented 2 years ago

What happens when there’s a dataset that’s missing one or more of these components? Should datasets themselves be able to create a generator instance that’s filled with the right stuff?

benedekrozemberczki commented 2 years ago

Closing for now. Have to think about this.