Chemprop: A Machine Learning Package for Chemical Property Prediction

I know a few folks have been using this, good to see this publication DOI.

Chemprop implements the D-MPNN architecture and offers simple, easy, and fast access to machine-learned molecular properties. Compared to its initial version, we present a multitude of new Chemprop functionalities such as the support of multimolecule properties, reactions, atom/bond-level properties, and spectra.

All code is available on GitHub

And there is a YouTube workshop

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