Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back

DOI10.5281/zenodo.10037801ZenodoMaRDI QIDQ6693450FDO

Authors Haoyang Wu, Klavs F. Jensen, Timothy Kulesza, Rafael Gomez-Bombarelli, Richard Canty, Matthew McDonald, Brooke Jin, Wengong Jin, Kevin P. Greenman, Charles J. McGill, William H. Green, Tommi Jaakkola, Regina Barzilay, Travis Hart, Shih-Chen Li, Florence Vermeire, Camille Bilodeau, Brent Koscher

Publication date 22 December 2023

Copyright license Creative Commons Attribution 4.0 International

Description

This repository contains all the data and models associated with the paper "Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back" by Koscher et al. More information to follow

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