68 citations · 142 across the 5 of their papers we have counts for
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physics.chem-ph2023★ 68 cited
MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules
Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning +8
Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dy…
physics.chem-ph2023
Fast evaluation of spherical harmonics with sphericart
Filippo Bigi, Guillaume Fraux, Nicholas J. Browning +1
Spherical harmonics provide a smooth, orthogonal, and symmetry-adapted basis to expand functions on a sphere, and they are used routinely in physical and theoretical chemistry as w…