Digital Discovery, 2023, 2,1414-1424
DOI: 10.1039/D3DD00071K, Paper
DOI: 10.1039/D3DD00071K, Paper
Open Access
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Henrik Schopmans, Patrick Reiser, Pascal Friederich
We used synthetically generated crystals to train ResNet-like models to enhance the prediction of space groups from ICSD powder X-ray diffractograms. The results show improved generalization to unseen structure types compared to previous approaches.
The content of this RSS Feed (c) The Royal Society of Chemistry
We used synthetically generated crystals to train ResNet-like models to enhance the prediction of space groups from ICSD powder X-ray diffractograms. The results show improved generalization to unseen structure types compared to previous approaches.
The content of this RSS Feed (c) The Royal Society of Chemistry