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This data is supplied in conjunction with the paper: Magdău, I. B., Arismendi-Arrieta, D. J., Smith, H. E., Grey, C. P., Hermansson, K., and Csányi, G. NPJ Computational Materials, accepted. (2023). "Machine Learning Force Field for Molecular Liquids: Ethylene Carbonate / Ethyl Methyl Carbonate Binary Solvent." The archive contains the final EC:EMC training data and test sets (Volume Scans, Intra/Inter splits), final GAP potential and the MD trajectories described in the paper. The data is accompanied by a Jupyter Notebook: HowTo.ipynb (also compiled as *.pdf and *.html) which explains in detail the structure of the data and how to interact with it. The Notebook also demonstrates how to create volume scans, intra/inter splits and analyze configurations and MD trajectories.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
| views | 64 | |
| downloads | 27 |

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