Molecular graph convolutions: moving beyond fingerprints S Kearnes, K McCloskey, M Berndl, V Pande, P Riley Journal of computer-aided molecular design 30, 595-608, 2016 | 1683 | 2016 |
Machine learning on DNA-encoded libraries: a new paradigm for hit finding K McCloskey, EA Sigel, S Kearnes, L Xue, X Tian, D Moccia, D Gikunju, ... Journal of Medicinal Chemistry 63 (16), 8857-8866, 2020 | 112 | 2020 |
Evaluating attribution for graph neural networks B Sanchez-Lengeling, J Wei, B Lee, E Reif, P Wang, W Qian, ... Advances in neural information processing systems 33, 5898-5910, 2020 | 109 | 2020 |
Using attribution to decode binding mechanism in neural network models for chemistry K McCloskey, A Taly, F Monti, MP Brenner, LJ Colwell Proceedings of the National Academy of Sciences, 201820657, 2019 | 92 | 2019 |
A machine-learning based objective measure for ALS disease severity FG Vieira, S Venugopalan, AS Premasiri, M McNally, A Jansen, ... NPJ digital medicine 5 (1), 45, 2022 | 18 | 2022 |
Crystal structure search with random relaxations using graph networks G Cheon, L Yang, K McCloskey, EJ Reed, ED Cubuk Preprint at https://arxiv. org/abs/2012.02920, 2020 | 14 | 2020 |
Tagging of fruit-producing flowers for robotic selective harvesting MA Stubbs, KJF McCloskey US Patent 9,532,508, 2017 | 14 | 2017 |
Opencontrails: Benchmarking contrail detection on goes-16 abi JYH Ng, K McCloskey, J Cui, VR Meijer, E Brand, A Sarna, N Goyal, ... arXiv preprint arXiv:2304.02122, 2023 | 9 | 2023 |
A human-labeled Landsat-8 contrails dataset K McCloskey, S Geraedts, B Jackman, VR Meijer, E Brand, D Fork, ... Proceedings of the ICML 2021 Workshop on Tackling Climate Change with …, 2021 | 8 | 2021 |
Tagging of fruit-producing flowers for robotic selective harvesting MA Stubbs, KJF McCloskey US Patent 9,913,429, 2018 | 8 | 2018 |
Evaluating attribution for graph neural networks AB Wiltschko, B Sanchez-Lengeling, B Lee, E Reif, J Wei, KJ McCloskey, ... Advances in Neural Information Processing Systems 33, 2020 | 5 | 2020 |
A scalable system to measure contrail formation on a per-flight basis S Geraedts, E Brand, TR Dean, S Eastham, C Elkin, Z Engberg, U Hager, ... Environmental Research Communications 6 (1), 015008, 2024 | 4 | 2024 |
Estimates of broadband upwelling irradiance from GOES-16 ABI K McCloskey, S Chen, VR Meijer, JYH Ng, G Davis, C Elkin, ... Remote Sensing of Environment 285, 113376, 2023 | 2 | 2023 |
The EventScope Remote Science Operations Tool: Using a Visualization of a Remote Location as an Interface for Robotic Exploration. E Myers, P Coppin, M Wagner, L Lu, WR McCloskey, D Seneker, ... IEEE Visualization, 104, 2005 | 2 | 2005 |
OpenContrails: Benchmarking Contrail Detection on GOES-16 ABI J Yue-Hei Ng, K McCloskey, J Cui, VR Meijer, E Brand, A Sarna, N Goyal, ... arXiv e-prints, arXiv: 2304.02122, 2023 | 1 | 2023 |
Tagging of fruit-producing flowers for robotic selective harvesting MA Stubbs, KJF McCloskey US Patent 10,602,664, 2020 | 1 | 2020 |
Crystal Structure Search with Random Structure Relaxations Using Graph Networks ED Cubuk, EJ Reed, G Cheon, KJ McCloskey, L Yang, M Brenner | 1 | 2020 |
Contrail Detection on GOES-16 ABI with the OpenContrails Dataset JYH Ng, K McCloskey, J Cui, VR Meijer, E Brand, A Sarna, N Goyal, ... IEEE Transactions on Geoscience and Remote Sensing, 2023 | | 2023 |
A Machine-Learning Based Objective Measure for ALS disease progression F Viera, S Venugopalan, AS Premasiri, M McNally, A Jansen, ... | | 2022 |
Dataset of Random Relaxations for Crystal Structure Search of Li-Si System G Cheon, L Yang, K McCloskey, EJ Reed, ED Cubuk arXiv preprint arXiv:2012.02920, 2020 | | 2020 |