Folders use the camera-ready figure numbers. Start with the paper map to find a specific panel or table. CSVs here are plotting views; the experimental geometries, reference arrays and predictions have one home under experiments.
- Figure 1: Physical response, target and representation
- Figure 2: Architecture and development controls
- Figure 3: Prospective response-ESP and dipole comparisons
- Figure 4: Held-out-water energy, torque, orientation and rank
- Figure 5: Fixed-charge probe distance and exact moments
- Figure S1: Reference construction and probe surface
- Figure S2: Representation reconstruction error floor
- Figure S3: All 56 prospective solutes
- Figure S4: Bootstrap and leave-one-solute sensitivity
- Figure S6: Comparator observable coverage
- Figure S7: Fragment-separation failure
- Figure S8: Complementary W4 error and distance diagnostics
- Figure S9: Exact multipole hierarchy
- Figure S10: Torque across water rank
- Figure S11: Cumulative frozen coupling
- Figure S12: Response fraction of frozen electrostatics
- Figure S13: Quantum-water sweep and paired uncertainty
- Figure S15: Chemistry, regime and non-water transfer
- Figure S16: Liquid-derived local environments
- Figure S17: Size and representation controls