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BindingSiteHachimoji.lean (589 lines): - 50-token amino acid vocabulary (20 core + 30 modified) - 8-state Hachimoji classification for residues - Extended Fisher metric on 50-simplex (Chentsov unique) - Chaos game basin discovery with Sidon addressing - Typed BindingSiteReceipt compatible with PVGS-DQ BindingSiteEntropy.lean (376 lines): - Information entropy per residue site (Void-X Eq. 3) - Entropy from B-factors (PDB) or cluster diversity - Bindability score B* normalized to 0-100 - Sidon address generation from entropy profiles - Fisher-Rao approximate distance between sites BindingSiteCodec.lean (335 lines): - pdbToReceipt : PDB ID → BindingSiteReceipt (one function) - screenDruggable : filter library for bindable pockets - rankByEnergy : sort by dual quaternion energy - Test cases: EGFR (1YY9), Tautomerase (9MUA), KIR2DL1 (9HML) Architecture: PDB → entropy profile → Hachimoji state → PVGS params → dual quaternion energy → typed receipt → PVGS-DQ system All three files compile as outlines with sorry for future proofs. |
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| BindingSiteCodec.lean | ||
| BindingSiteEntropy.lean | ||
| BindingSiteHachimoji.lean | ||