HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions.

Ryan Kingsbury

Rishabh D. Guha Santiago Vargas Evan Walter Clark Spotte-Smith Alexander Rizzolo Epstein Maxwell C. Venetos Ryan Kingsbury Mingjian Wen Samuel M. Blau Kristin A. Persson HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions. 3963-3975 2025 65 J. Chem. Inf. Model. 8 https://doi.org/10.1021/acs.jcim.4c02443 db/journals/jcisd/jcisd65.html#GuhaVSEVKWBP25 streams/journals/jcisd

Brodie T. Wallace Scott Palo Penina Axelrad John Marino Nicholas Rainville Julia DiTomas Ryan Kingsbury Mazen Shihabi Dennis O. Ogbe A Lunar Surface Pseudolite Architecture for Regional Communication and Radionavigation. 5611-5634 2025 June 61 IEEE Trans. Aerosp. Electron. Syst. 3 https://doi.org/10.1109/TAES.2024.3520536 db/journals/taes/taes61.html#WallacePAMRDKSO25 streams/journals/taes

Ryan Kingsbury pyEQL: A Python interface for water chemistry. 6295 2024 April 9 J. Open Source Softw. 96 https://doi.org/10.21105/joss.06295 db/journals/jossw/jossw9.html#Kingsbury24

Orion Archer Cohen Hugo MacDermott-Opeskin Lauren Lee Tingzheng Hou Kara D. Fong Ryan Kingsbury Jingyang Wang Kristin A. Persson SolvationAnalysis: A Python toolkit for understanding liquid solvation structure in classical molecular dynamics simulations. 5183 2023 March 8 J. Open Source Softw. 83 https://doi.org/10.21105/joss.05183 db/journals/jossw/jossw8.html#CohenMLHFKWP23

Penina Axelrad Samuel M. Blau Orion Archer Cohen Julia DiTomas Alexander Rizzolo Epstein Kara D. Fong Rishabh D. Guha Tingzheng Hou Lauren Lee Hugo MacDermott-Opeskin John Marino Dennis O. Ogbe Scott Palo Kristin A. Persson Nicholas Rainville Mazen Shihabi Evan Walter Clark Spotte-Smith Santiago Vargas Maxwell C. Venetos Brodie T. Wallace Jingyang Wang Mingjian Wen