Releases: chembl/ChEMBL_Structure_Pipeline
Releases · chembl/ChEMBL_Structure_Pipeline
1.2.2
1.2.0
1.1.0
This version will be first used in ChEMBL for ChEMBL33.
- added Dimepranol as a salt (thanks @FionaEBI)
- using RDKit 2022.09.01 (with inchi 1.06, ChEMBL currently still using inchi 1.05)
- pip installable (thanks @djm-healx)
- nose replaced with pytest
- metals list as a set (thanks @UnixJunkie)
- fixed chirality issue #24 (thanks @greglandrum )