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openchemlib-utils

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openchemlib-utils - npm Package Versions

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6.5.3

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cheminfo-bot

published 6.5.3 • 4 weeks ago

Changelog

Source

6.5.3 (2025-02-06)

Bug Fixes

correct type of combineSmiles function (155177c)
update OCL (a111338)

6.5.2

Diff

cheminfo-bot

published 6.5.2 • last month

Changelog

Source

6.5.2 (2025-02-04)

Bug Fixes

correct types of OCL import and DB (bf0d1df)

6.5.1

Diff

cheminfo-bot

published 6.5.1 • 3 months ago

Changelog

Source

6.5.1 (2024-12-11)

Bug Fixes

wrongly exported getMolfilesMapping (18b12b7)

6.5.0

Diff

cheminfo-bot

published 6.5.0 • 3 months ago

Changelog

Source

6.5.0 (2024-12-11)

Features

add getMolfilesMapping and update dependencies (6766381)

6.4.1

Diff

cheminfo-bot

published 6.4.1 • 7 months ago

Changelog

Source

6.4.1 (2024-07-29)

Bug Fixes

return empty array if molecule too big (89c9198)

6.4.0

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cheminfo-bot

published 6.4.0 • 7 months ago

Changelog

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6.4.0 (2024-07-29)

Features

TopicMolecule failed if over 250 atoms but the main issues was DiaIDs (9a9daf5)

6.3.0

Diff

cheminfo-bot

published 6.3.0 • 8 months ago

Changelog

Source

6.3.0 (2024-07-07)

Features

add TopicMolecule.setAtomNoInMapNo (4028628)

6.2.0

Diff

cheminfo-bot

published 6.2.0 • 8 months ago

Changelog

Source

6.2.0 (2024-07-07)

Features

add TopicMolecule.getAtomPathsFrom (a8b918b)

6.1.0

Diff

cheminfo-bot

published 6.1.0 • 8 months ago

Changelog

Source

6.1.0 (2024-06-29)

Features

deal with R groups in getMF (4036501)

6.0.1

Diff

cheminfo-bot

published 6.0.1 • 9 months ago

Changelog

Source

6.0.1 (2024-06-22)

Bug Fixes

remove duplicate code and fix getHoseFragment from TopicMolecule (928b38d)

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