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Version 1.1 🎉 #26

Merged
merged 18 commits into from
Jan 16, 2025
Merged

Version 1.1 🎉 #26

merged 18 commits into from
Jan 16, 2025

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JacksonBurns
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Implementing some features, as well as revising the paper after peer review.

Closes #24 by allowing users to specify a test size of 0.0 to then train on all of the data (some still used for early stopping).

Closes #22 by adding an option to disable re-scaling during inference, if desired.

@JacksonBurns JacksonBurns merged commit 3089521 into main Jan 16, 2025
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@JacksonBurns JacksonBurns deleted the v1-1/jcheminf_revisions branch January 16, 2025 21:43
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Creating a model with all the data Returning predictions
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