SGW
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Please add a license
Would it be possible to add an MIT or Apache2 license?
Thanks for your work ... I’m curious how this can be applied to unbalanced organic chemistry reactions and protein mechanics. Would this be permutation invariant for atoms of the same element? (We use Two unbalanced arrays of shape (N, 16) where 16 is xyz and mass, charge, element etc)
Happy to provide metrics fuckloads of that data if interested