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Geometric Deep Learning for Molecular Crystal Structure Prediction
[Image: see text] We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs. Leveraging developments in graph-based learning and the availability of large molec...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10373482/ https://www.ncbi.nlm.nih.gov/pubmed/37053511 http://dx.doi.org/10.1021/acs.jctc.3c00031 |