Fix/rdkit suggestions#13

Merged

padix-key merged 3 commits intopadix-key:rdkitfrom

Croydon-Brixton:fix/rdkit-suggestions

Feb 15, 2025

Commits on Feb 12, 2025

fix: enable returning molecules without conformers (with nan coords). Also set coordinates of non-3d conformers to nan even when explicitly requested, as they are meaningless.
Croydon-Brixton
committed
feat: attempt to type-cast extra annotations instead of always leaving them as 'str' objects. Also type-cast the rdkit internal 'isImplicit' flag.
Croydon-Brixton
committed
fix: suggestion for default case & warnings for explicit hydrogens
Croydon-Brixton
committed