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openchemlib-utils

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openchemlib-utils - npm Package Versions

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810

0.7.0

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cheminfo-bot

published 0.7.0 • 4 years ago

Changelog

Source

0.7.0 (2021-03-01)

Features

allow to initOCL with keepExisting option (6f9049a)

0.6.1

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cheminfo-bot

published 0.6.1 • 4 years ago

Changelog

Source

0.6.1 (2021-01-17)

Bug Fixes

correctly export combineSmiles (a8354c3)

0.6.0

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cheminfo-bot

published 0.6.0 • 4 years ago

Changelog

Source

0.6.0 (2021-01-17)

Features

add combineSmiles (87bad19)
add complexity options in combineSmiles (e54072e)

Bug Fixes

Correct readme example (d22f119)

0.5.3

Diff

cheminfo-bot

published 0.5.3 • 4 years ago

Changelog

Source

0.5.3 (2020-10-28)

Bug Fixes

release from github actions (5fc49da)

0.5.2

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lpatiny

published 0.5.2 • 4 years ago

Changelog

Source

0.5.2 (2020-10-28)

0.5.1

Diff

targos

published 0.5.1 • 4 years ago

Changelog

Source

0.5.1 (2020-09-09)

Bug Fixes

allow to call initOCL multiple times with the same OCL (843a4c6)

0.5.0

Diff

lpatiny

published 0.5.0 • 4 years ago

Changelog

Source

0.5.0 (2020-06-28)

Features

add getGroupedDiastereotopicAtomIDs (fef69d7)

0.4.0

Diff

lpatiny

published 0.4.0 • 5 years ago

Changelog

Source

0.4.0 (2020-05-08)

Features

add heavy atom in getDiastereotopicAtomIDsAndH (9920a0b)

0.3.0

Diff

lpatiny

published 0.3.0 • 5 years ago

Changelog

Source

0.3.0 (2020-02-21)

Features

add negative atomicNo option (44f812f)
add sdta for getConnectivityMatrix (9fe9640)

0.2.1

Diff

cheminfo-bot

published 0.2.1 • 5 years ago

Changelog

Source

0.3.0 (2020-02-21)

Features

add negative atomicNo option (44f812f)
add sdta for getConnectivityMatrix (9fe9640)

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810