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bp-kelley / descriptastorus

Descriptor computation(chemistry) and (optional) storage for machine learning
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gilbrat has been renamed in spicy gibrat #22

Closed bp-kelley closed 1 year ago

bp-kelley commented 1 year ago

Fixes #20

Also add a fix for keep_mols in the descriptor generator, it wasn't always being honored

bp-kelley commented 1 year ago

The new version is up on pypi https://pypi.org/project/descriptastorus/2.6.1/