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Jonathan P. Mailoa

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Multi-Constraint Molecular Generation using Sparsely Labelled Training Data for Localized High-Concentration Electrolyte Diluent Screening

Jan 12, 2023
Jonathan P. Mailoa, Xin Li, Jiezhong Qiu, Shengyu Zhang

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Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform

Jan 03, 2023
Jonathan P. Mailoa, Zhaofeng Ye, Jiezhong Qiu, Chang-Yu Hsieh, Shengyu Zhang

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SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials

Jan 08, 2021
Simon Batzner, Tess E. Smidt, Lixin Sun, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Boris Kozinsky

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A community-powered search of machine learning strategy space to find NMR property prediction models

Aug 13, 2020
Lars A. Bratholm, Will Gerrard, Brandon Anderson, Shaojie Bai, Sunghwan Choi, Lam Dang, Pavel Hanchar, Addison Howard, Guillaume Huard, Sanghoon Kim, Zico Kolter, Risi Kondor, Mordechai Kornbluth, Youhan Lee, Youngsoo Lee, Jonathan P. Mailoa, Thanh Tu Nguyen, Milos Popovic, Goran Rakocevic, Walter Reade, Wonho Song, Luka Stojanovic, Erik H. Thiede, Nebojsa Tijanic, Andres Torrubia, Devin Willmott, Craig P. Butts, David R. Glowacki, Kaggle participants

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Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems

May 07, 2019
Jonathan P. Mailoa, Mordechai Kornbluth, Simon L. Batzner, Georgy Samsonidze, Stephen T. Lam, Chris Ablitt, Nicola Molinari, Boris Kozinsky

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