0.8.0
Added:
dm.Atom
anddm.Bond
types.- Add RDKit as a pypi dep.
- Add
datamol.hash_mol()
based onrdkit.Chem.RegistrationHash
.
Changed:
- RDKit 2022.09: use
Draw.shouldKekulize
instead ofDraw._okToKekulizeMol
. - RDKit 2022.09: don't use
dm.convert._ChangeMoleculeRendering
for RDKit >=2022.09.
Authors:
- Hadrien Mary