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List of works by Yanfei Guan

Message-passing neural networks for high-throughput polymer screening

scientific article published on 01 June 2019

Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

scientific article published on 11 May 2020

Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

scientific article published on 11 June 2020

Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules

scientific article published on 21 July 2020

Real-time prediction of ¹H and ¹³C chemical shifts with DFT accuracy using a 3D graph neural network

scientific article published in 2021

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