What are the different ways that a molecule can be encoded into a vector? My answer to that question would employ machine learning but maybe there are other approaches, perhaps analytical, e.g., graph theoretical. Are there specific examples in scientific literature?
Would it be possible to use a molecular vectorization in many-body quantum mechanics (effectively computational quantum mechanics)? A potential example that I can offer is to use a molecular vectorization to create a mapping to the eigenvectors in the eigenvalue problem in DFT.