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NFDI4Chem
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nmrkit
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feat: include atom shifts in nmrshift predictions
- #148
#148
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vcnainala
merged 2 commits into
development
NFDI4Chem/nmrkit:development
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feat/prediction-atom-shifts
NFDI4Chem/nmrkit:feat/prediction-atom-shifts
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Oct 2, 2026
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feat: include atom shifts in nmrshift predictions
#148
vcnainala
merged 2 commits into
development
NFDI4Chem/nmrkit:development
from
feat/prediction-atom-shifts
NFDI4Chem/nmrkit:feat/prediction-atom-shifts
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Commits on Oct 2, 2026
feat: include atom shifts in nmrshift predictions
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vcnainala
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hamed-musallam
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8aef072
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refactor(nmrshift): extract prediction shifts helper
hamed-musallam
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332c177
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