Alpha A. Lee

1. Matbench Discovery -- A framework to evaluate machine learning crystal stability predictions
   2023/08/28 by Janosh Riebesell, Riebesell, Janosh, Rhys E. A. Goodall +13 · 27 citations
   Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
2. GAUCHE: A Library for Gaussian Processes in Chemistry
   2022/12/06 by Ryan‐Rhys Griffiths, Leo Klarner, Griffiths, Ryan-Rhys +41 · 8 citations
   Chemistry · Computer Science · Engineering · #Advanced Chemical Sensor Technologies #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Mass Spectrometry Techniques and Applications #Materials Science (cond-mat.mtrl-sci)
3. Accelerating antiviral drug discovery: lessons from COVID-19
   2023/05/12 by Annette von Delft, Matthew D. Hall, Ann D. Kwong +5 · 1 voice · 4 citations
   Biochemistry, Genetics and Molecular Biology · Medicine · #COVID-19 Clinical Research Studies #SARS-CoV-2 and COVID-19 Research #vaccines and immunoinformatics approaches
4. Automatic virtual voltage extraction of a 2x2 array of quantum dots with machine learning
   2020/12/07 by Giovanni A. Oakes, Jingyu Duan, Oakes, Giovanni A. +9 · 3 citations
   Computer Science · #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum Physics (quant-ph) #Quantum-Dot Cellular Automata
5. The Electrostatic Screening Length in Concentrated Electrolytes Increases with Concentration
   2016/05/24 by Alexander M. Smith, Alpha A. Lee, Susan Perkin · 2 citations
   Chemistry · Physics and Astronomy · #Electrostatics and Colloid Interactions #Spectroscopy and Quantum Chemical Studies #Electrochemical Analysis and Applications
6. A framework to evaluate machine learning crystal stability predictions
   2025/06/23 by Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner +7 · 1 voice · 6 citations
   Computer Science · Materials Science · #Computational Drug Discovery Methods #Crystallization and Solubility Studies #Machine Learning in Materials Science