forlilab / Meeko

Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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Refactoring Molecule Setups #109

Open psharma-sr opened 2 months ago

psharma-sr commented 2 months ago

Add detail soon:

Revising the structure of Molecule Setups, mostly by cleaning up the data structures and the inheritance patterns in the code.