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Published 20 hours ago • verified publisher icon peterspackman
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Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python

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Code for fingerprints filtered by elements

Following from #4 Just need to add some convenience methods to filter $d_e$/$d_i$ fingerprints by element. Should be straightforward.

peterspackman avatar peterspackman

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verified publisher icon peterspackman

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Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python

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