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Authors
Alexander Moriarty (0000-0001-7525-1419), Kazuki Morita (0000-0002-2558-6963), Keith T. Butler (0000-0001-5432-5597), Aron Walsh (0000-0001-5460-7033)
Citation
Moriarty et al., (2022). UnlockNN: Uncertainty quantification for neural network models of chemical systems. Journal of Open Source Software, 7(75), 3700, https://doi.org/10.21105/joss.03700
@article{Moriarty2022,
doi = {10.21105/joss.03700},
url = {https://doi.org/10.21105/joss.03700},
year = {2022},
publisher = {The Open Journal},
volume = {7},
number = {75},
pages = {3700},
author = {Alexander Moriarty and Kazuki Morita and Keith T. Butler and Aron Walsh},
title = {UnlockNN: Uncertainty quantification for neural network models of chemical systems},
journal = {Journal of Open Source Software}
}
Tags
graph neural networks uncertainty quantification machine learning material science chemistry
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