Obtaining atomic features #5
Description
Is there a way to get the features of an atom in ASE (from either Grace/FS , 1L or 2L) for use in other ML applications? If so are the elemental information included in the features?
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Is there a way to get the features of an atom in ASE (from either Grace/FS , 1L or 2L) for use in other ML applications? If so are the elemental information included in the features?