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Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.
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Add DMPNN for reproduction #3

Closed Dlux804 closed 4 years ago

Dlux804 commented 4 years ago

Reproduce model described in Barzilay paper.

We want to test how long it takes to featurize, train, etc.

Dlux804 commented 4 years ago

18 Branch began this. Need to flesh it out.