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Every descriptor construction in the paper, drawn on the molecule itself: θ from v and its shadow, B1 and its plane, loc B5 and B5, the dipole frame, charges, and stacks of aligned structures. Drag to turn it; click any atom for its options. The numbers come from a line-for-line port of DescriPyTor’s Sterimol, identical to the Python on all 118 axes of the paper’s case studies.
Drag to turn · scroll to zoom · click an atom for its options