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chore(training): modernize fingerprints to MorganGenerator - #34

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rvnminers-A-and-N merged 1 commit into
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chore/morgan-generator
Jun 26, 2026
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rvnminers-A-and-N merged 1 commit into
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chore/morgan-generator

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Replace the deprecated AllChem.GetMorganFingerprintAsBitVect with a shared rdFingerprintGenerator.GetMorganGenerator across train_taste, predict, and app. Identical bits (radius 2, 2048-bit) → models & AUROCs unchanged (sweet 0.947 / bitter 0.945 / umami 0.991); just clears the RDKit deprecation warning. Drops the now-unused AllChem import.

Replace the deprecated AllChem.GetMorganFingerprintAsBitVect helper with a shared
rdFingerprintGenerator.GetMorganGenerator across train_taste, predict, and app —
identical bits (radius 2, 2048-bit), so models and AUROCs are unchanged (sweet
0.947 / bitter 0.945 / umami 0.991). Removes the RDKit deprecation warning and the
now-unused AllChem import from each file.
@rvnminers-A-and-N
rvnminers-A-and-N merged commit d970c0f into main Jun 26, 2026
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rvnminers-A-and-N deleted the chore/morgan-generator branch June 26, 2026 15:05
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