calorine - A Python library for building and sampling NEP models via the GPUMD package
Lindgren, Eric; Rahm, J. Magnus; Fransson, Erik; Eriksson, Fredrik; Österbacka, Nicklas; Fan, Zheyong; Erhart, Paul;
calorine - A Python library for building and sampling NEP models via the GPUMD package
calorine is a Python library for constructing and sampling neuroevolution potentials (NEPs) via GPUMD. It provides ASE calculators, IO functions for reading and writing GPUMD input and output files, as well as a Python interface that allows inspection NEP models.
- Bohai University China (People's Republic of)
- Chalmers University of Technology Sweden
machine-learned potentials, GPUMD, neuroevolution potentials, molecular dynamics
machine-learned potentials, GPUMD, neuroevolution potentials, molecular dynamics
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selected citations
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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).
Citations provided by BIP!popularityPopularity provided by BIP!
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
Popularity provided by BIP! 1
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