[WIP] Porting some code in from deepchem

deepchem / moleculenet

Moleculenet.ai Datasets And Splits

MIT License

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[WIP] Porting some code in from deepchem #4

Closed rbharath closed 4 years ago

rbharath commented 4 years ago

This PR starts the process of moving some code in from DeepChem. This is going to be a long-running PR that won't be merged in for some time.

rbharath commented 4 years ago

This PR was a refactoring attempt to see how it would be to move a lot of code in from DeepChem. I think this refactoring effort showed the initial design was too hard. Closing.