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#compchem Good read: Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces https://doi.org/10.1021/acs.jctc.2c01038
#compchem Good read: Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces https://doi.org/10.1021/acs.jctc.2c01038