openchemlib-utils - npm Package Versions

6.5.1 (2024-12-11)

Bug Fixes

• wrongly exported getMolfilesMapping (18b12b7)

6.5.0 (2024-12-11)

Features

• add getMolfilesMapping and update dependencies (6766381)

6.4.1 (2024-07-29)

Bug Fixes

• return empty array if molecule too big (89c9198)

6.4.0 (2024-07-29)

Features

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

6.3.0 (2024-07-07)

Features

• add TopicMolecule.setAtomNoInMapNo (4028628)

6.2.0 (2024-07-07)

Features

• add TopicMolecule.getAtomPathsFrom (a8b918b)

6.1.0 (2024-06-29)

Features

• deal with R groups in getMF (4036501)

6.0.1 (2024-06-22)

Bug Fixes

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

6.0.0 (2024-06-22)

⚠ BREAKING CHANGES

• hose codes changed in order to embed query features including aromaticity, nb H and cycle size.

Features

• hose codes changed in order to embed query features including aromaticity, nb H and cycle size. (811cc25)

5.21.1 (2024-05-22)

Bug Fixes

• do not contaminate idCode in MoleculeDB when empty molecule (9fb307f)