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openkinome / experiments-binding-affinity

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update featurization calls #7

Closed jaimergp closed 3 years ago

jaimergp commented 3 years ago

This PR updates the featurization template so it uses the new convention for Featurizer.featurize(systems) in kinoml. Previously, we passed one system at a time. Now we pass a list (usually the whole dataset) so global dataset properties can be computed (like padding width).

Synced with https://github.com/openkinome/kinoml/pull/37

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