Artigos com autorizações de acesso público - Patrick RileySaiba mais
Disponíveis em algum local: 9
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
Autorizações: US National Institutes of Health
Prediction errors of molecular machine learning models lower than hybrid DFT error
FA Faber, L Hutchison, B Huang, J Gilmer, SS Schoenholz, GE Dahl, ...
Journal of chemical theory and computation 13 (11), 5255-5264, 2017
Autorizações: Swiss National Science Foundation, US Department of Defense
Optimization of molecules via deep reinforcement learning
Z Zhou, S Kearnes, L Li, RN Zare, P Riley
Scientific reports 9 (1), 10752, 2019
Autorizações: US National Science Foundation
A Bayesian experimental autonomous researcher for mechanical design
AE Gongora, B Xu, W Perry, C Okoye, P Riley, KG Reyes, EF Morgan, ...
Science advances 6 (15), eaaz1708, 2020
Autorizações: US National Science Foundation
Kohn-Sham equations as regularizer: Building prior knowledge into machine-learned physics
L Li, S Hoyer, R Pederson, R Sun, ED Cubuk, P Riley, K Burke
Physical review letters 126 (3), 036401, 2021
Autorizações: US National Science Foundation, US Department of Energy
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods …
S Ackloo, R Al-Awar, RE Amaro, CH Arrowsmith, H Azevedo, RA Batey, ...
Nature Reviews Chemistry 6 (4), 287-295, 2022
Autorizações: US Department of Energy, US National Institutes of Health, Genome Canada …
Using simulation to accelerate autonomous experimentation: A case study using mechanics
AE Gongora, KL Snapp, E Whiting, P Riley, KG Reyes, EF Morgan, ...
Iscience 24 (4), 2021
Autorizações: US National Science Foundation, US Department of Defense
Discovery of complex oxides via automated experiments and data science
L Yang, JA Haber, Z Armstrong, SJ Yang, K Kan, L Zhou, MH Richter, ...
Proceedings of the National Academy of Sciences 118 (37), e2106042118, 2021
Autorizações: US Department of Energy
A resource to enable chemical biology and drug discovery of WDR Proteins
CH Arrowsmith, S Ackloo, F Li, M Szewczyk, A Seitova, P Loppnau, ...
bioRxiv, 2024.03. 03.583197, 2024
Autorizações: Genome Canada
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