49 citations · 82 across the 6 of their papers we have counts for
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stat.ML2021★ 22 cited
Optimal radial basis for density-based atomic representations
Alexander Goscinski, Félix Musil, Sergey Pozdnyakov +1
The input of almost every machine learning algorithm targeting the properties of matter at the atomic scale involves a transformation of the list of Cartesian atomic coordinates in…
physics.chem-ph2021★ 49 cited
Efficient implementation of atom-density representations
Félix Musil, Max Veit, Alexander Goscinski +5
Physically-motivated and mathematically robust atom-centred representations of molecular structures are key to the success of modern atomistic machine learning (ML) methods. They l…