@jppiquem : #compchem Good read: On the design space between molecular mechanics and machine learning force fields arxiv.org/abs/24509.01931 • TwiCopy

@jppiquem

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Theoretical Chemist @Sorbonne_Univ_ & Director @LCT_UMR7616, @ERC_Research Fellow, CSO & co-founder @qubit_pharma, FRSC (my views)

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linkhttps://piquemalresearch.com/ calendar_today14-03-2012 13:52:38

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#compchem Good read: On the design space between molecular mechanics and machine learning force fields arxiv.org/abs/2409.01931