molecule encoder/decoder in deepchem #rdkit #deepchem

Today I updated deepchem in my mac. It was easy to install new version of deepchem on Mac. That’s all. ;-) New version of deepchem is implemented MoleculeVAE. MoeculeVAE generates new molecules by using pre defined model. Deepchem can use pre defined model that was trained with Zinc Dataset. OK let’s run the code. IContinue reading “molecule encoder/decoder in deepchem #rdkit #deepchem”