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feat: improve prediction#93

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vcnainala merged 4 commits intodevelopmentfrom
improve-predictions
Feb 17, 2026
Merged

feat: improve prediction#93
vcnainala merged 4 commits intodevelopmentfrom
improve-predictions

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@hamed-musallam hamed-musallam marked this pull request as ready for review February 17, 2026 10:43
refactor: improve code

refactor: improve nmr-cli

chore: update package-lock.json
…ngines

feat: improve prediction with molfile

refactor: improve prediction error message
@vcnainala vcnainala merged commit 21a59c4 into development Feb 17, 2026
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hamed-musallam added a commit that referenced this pull request Feb 25, 2026
* feat: improve prediction

refactor: improve code

refactor: improve nmr-cli

chore: update package-lock.json

* feat: expose molecular prediction powered by nmrdb.org and nmrshift engines

feat: improve prediction with molfile

refactor: improve prediction error message

* feat(docker): add shared-data volume to nmr-converter service
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2 participants