This repository contains benchmarking scripts and data for Chemprop v2, a message passing neural network for molecular property prediction, as described in the paper Chemprop v2: Modular, Fast, and ...
@article{doi:10.1177/02783649251368909, author = {Nicolás Soncini and Javier Cremona and Erica Vidal and Maximiliano García and Gastón Castro and Taihú Pire ...
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