Potentially use molecule set from [When does chemical elaboration induce a ligand to change its binding mode?](https://github.com/mwinokan/PoseButcher/files/14270094/nihms865407.pdf) Use posebutcher to predict which vectors/elaborations will be successful? Compare success against Fragmenstein mRMSD & ddG
Potentially use molecule set from When does chemical elaboration induce a ligand to change its binding mode?
Use posebutcher to predict which vectors/elaborations will be successful? Compare success against Fragmenstein mRMSD & ddG