swansonk14

Adding checks for if MoleculeDataset has length zero to prevent index…

4

## Description The split type `cv-no-test` crashes. ## Example / Current workflow When running training with `--split_type cv-no-test`, chemprop crashes with an `IndexError: list index out of range`. ## Bugfix...

Refactor `tapify` to enable subparsers

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One important use case from `Tap`/`tapify` that is missing is the ability to create a subparser that can parse arguments for different functions depending on which subparser is called. This...

In a multiline assign statement, a hashtag comment on the final line is not registered as a comment and is thus not included in the Tap help string. See below...

Morgan fingerprint generator warnings

2

Hi @bp-kelley, Thank you for the great package! I noticed recently that with newer versions of RDKit (e.g., 2024.3.5), running the `descriptastorus.descriptors.rdNormalizedDescriptors.RDKit2DNormalized` descriptor prints out the warning message `DEPRECATION WARNING:...

Now that Python 3.8 has reached end-of-life and is no longer supported, please change typing in Tap from the typing module to built-in types (e.g., `List[int]` -> `list[int]`).