Molecule API

[puehringer]

Summary

We need an API handling molecules. Everything mentioned below can be done by RDKit (https://pypi.org/project/rdkit-pypi/)

• Install RDKit as optional dependency
• image generation
• substructure & SMARTS search
• substructure image highlighting
• maximum common substructure

For reference, see ChEmbVis: https://github.com/puehringer/ChEmbVis/blob/main/api/api/molecule.py