Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules
Zikai Xie, Xenophon Evangelopoulos, Ömer H. Omar, Alessandro Troisi, Andrew I. Cooper, Linjiang Chen
Abstract
random alterations in atomic identities. We discuss the challenges and limitations inherent to the use of GPT-3 in molecular machine-learning tasks and suggest potential directions for future research and improvements to address these issues.
Topics & Concepts
Organic moleculesBiological systemMoleculeFocus (optics)Noise (video)Resilience (materials science)Computer scienceMaterials scienceArtificial intelligenceNanotechnologyChemical physicsMachine learningChemistryPhysicsBiologyOrganic chemistryOpticsComposite materialImage (mathematics)Machine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics