Fix pipeline MSA/AI stall, add SwissADME-parity ADMET panel, PubChem search, docking ligand data

test: comprehensive validation & fuzz testing with bug fixes

fix: num_aromatic_rings -> n_aromatic_rings in CYP panel

feat: ADMET 3a/3b split — mark RDKit descriptors as production, toxicity/ADMET as rule-based heuristic

fix: wrap all Fragments.fr_* calls in safe _fg() wrapper

fix: mol_volume fallback referenced labute_asa before definition

fix: MolVolume with triple fallback (CalcMolecularVolume -> Descriptors3D -> ASA estimate)

fix: MolVolume -> CalcMolecularVolume + wrap optional descriptors in try/except

fix: ADMET import error + MD secondary structure accuracy

feat: industrial-grade ADMET + detailed MD/function results

Phase 3a/4/5: ADMET descriptors (RDKit), MD simulation (OpenMM), function prediction (DeepFRI-inspired) — backend + frontend