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/10.1021/acs.jpcb.4c01558 ], but they lack accuracy for predictive modelling. Transferable machine learning potentials, like MACE-OFF [https://doi.org/10.1021/jacs.4c07099 ], effectively achieve quantum
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built to identify and correct errors, apply bias adjustments, and assess data quality. State-of-the-art multisource blending methods will then be applied (e.g. kriging, probabilistic merging, machine
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multisource blending methods will then be applied (e.g. kriging, probabilistic merging, machine learning) to combine datasets and preserve extremes. Uncertainty will be quantified explicitly, with outputs
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