SOLANGE — Scientific Oncology Legacy Advancing Non-druggable Ground-state Energetics

Scientist View

Clinical Target Dashboard

NSCLC Non-Druggable Mutation Profiles · Source: TCGA · COSMIC · ClinVar · NGS Report MI25-0349

Non-Druggable Target Registry — Active Queue

Class	Gene	Mutation	Source	Local e⁻ · Phase 3A	Full e⁻ · Phase 3B	Status
A	TP53	p.Cys275Phe Structural	★ NGS	~24e (local site)	~44e (full active site)	○ Pending
A	STK11	LKB1 Loss-of-function Kinase LOF	📚 Research	~76e (kinase local)	~152e (full domain)	○ Pending
A	STK11	p.Phe354Leu Kinase LOF	📚 Research	~48e (AF · 96q · near-term⚡)	~152e (full domain)	○ Pending
A	STK11	p.Asp194Asn Kinase LOF	📚 Research	~76e (kinase local)	~152e (full domain)	○ Pending
B	KEAP1	p.Cys196Leufs* PPI	★ NGS	~104e (Kelch local)	~155e (full interface)	○ Pending
B	KEAP1	p.Gly333Cys PPI	Sibling	~104e (Kelch local)	~155e (full interface)	○ Pending
B	KEAP1	p.Arg320Gln PPI	Sibling	~80e (AF model · IVR⚠)	~155e (full interface)	○ Pending

★ NGS = detected in patient report MI25-0349 · 📚 Research = TCGA/COSMIC/ClinVar literature target · Sibling = same gene/domain as NGS finding · Class A/B rows are quantum simulation targets · Class C rows filtered out after NGS load

Case NGS Profile — No report loaded

Biomarker	Result	Implication
EGFR / ALK / KRAS / RET	—	—
TMB	—	—
MSI	—	—
TP53	—	—
KEAP1	—	—

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Classical Tractability Plane — Size vs. Measured Entanglement

Scientist View

Orchestration Engine

Quantum kernel · HPC dispatch · AI binding affinity pipeline

Simulation Pipeline — Select a mutation and run to begin

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Target Selection

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Active Space

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Qubit Encoding

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Compute Dispatch

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Result Aggregation

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Validation & Seal

reference data Values below run on reference compounds, not customer structures — what that means

Targets on this ladder run on reference compounds at CAS(2e,2o)/STO-3G — toluene in place of a Phe sidechain, methanethiol for Cys. Each is a correct calculation of the compound it describes, and is used to exercise the orchestration, provenance and verification path end to end at low cost. Active-space sizes are literature values rather than site measurements. Results here are therefore not clinical or chemical findings; production runs against customer structures are.

Independently checked: the pipeline reproduces a reference it did not produce — N₂ CAS(6,6)/cc-pVDZ, CASSCF to 0.00 mHa and 12-qubit VQE to 0.471 mHa (29% of chemical accuracy). That validates the instrument for small-molecule bond breaking; it transfers nothing to protein active sites. See scripts/laguna/benchmarks.json.

Ladder · Rung 1 — Laptop smallest rung: prove the whole pipeline in-browser before climbing to HPC and quantum

Quantum Kernel · Live VQE Job (Phase 3A · laptop / in-browser)

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Phase 3A · VQE — Awaiting simulation run

Quantum Kernel · 4-qubit JW Hamiltonian (27 Pauli terms) · PySCF CAS(2e,2o) / STO-3G · sqDRIFT targets Phase 3B

Idle

Live VQE Engine — Phase 3A Proxy · sqDRIFT targets Phase 3B (IBM Heron r3)

Compute Dispatcher — QC·AI·HPC Backend Routingi

Per-Mutation Routing · full active site

Ladder · Rung 2 — HPC classical CASSCF/VQE dispatched to the Laguna cluster — beyond the laptop's reach

Phase 3A-HPC Ladder · Laguna (USC CARC)i

Ladder · Rung 3 — DMRG last classical resort — the A/B/C classifier that decides whether quantum is even needed

DMRG A/B/C Classifications · Laguna (solange_dmrg.py)i

Ladder · Rung 4 — Quantum bottom of the ladder — real IBM Heron QPU, where the classical rungs run out

Phase 3B — Quantum Hardware · IBM Heron (real QPU)i

Scientist View

Results & Benchmarking

VQE Ground-State Energy · Phase 3A Live Results

Phase 3A Live Results — Quantum Simulator · No run yet

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Ground-state energy · active space

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VQE runtime · iterations

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Qubits / gates / depth

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P8 SHA-256 seal · Run a simulation to populate

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95% CI half-width

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Energy variance · convergence quality

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Basis set

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Ansatz · trial wavefunction circuit

PySCF CASSCF(2,2) integrals available
Real ab initio Hamiltonian for TP53 C275F · Phe275 π system · STO-3G

Ground-State Energy by Mutation

Run a simulation to populate

Each dot = one VQE run · hover for value · lower energy = stronger binding

TP53

STK11

KEAP1

Energies in Hartree (Hₐ). More negative = lower ground state = tighter binding. Current session only — Reset clears chart.

VQE Energy Convergence — awaiting simulation

Run a simulation to see the live convergence curve from PennyLane

Energy in Hartree (Hₐ) · X axis: Adam optimizer iterations · Y axis: total ground-state energy · Convergence = energy plateau

All-Target Summary — 1 NSCLC Mutation · BQP Classification & Simulation Status

Reference data · These energies are computed on a small stand-in molecule for each target, not on the target's own active site, and the electron counts shown are literature estimates rather than measurements. A BQP class stays an expectation until a DMRG run at the target's own scale confirms it.

Target	Mutation	Active e⁻	Qubits (JW)	Method	BQP Class	Ground-state E	Status
TP53	C275F Structural	~44	~88	VQE · Phase 3A	BQP ★ Class A	—	○ Pending
KEAP1	C196Leufs* PPI	~155	~310	sqDRIFT · Phase 3B	BQP Class B	—	○ Pending
KEAP1	G333C PPI	~155	~310	sqDRIFT · Phase 3B	BQP Class B	—	○ Pending
KEAP1	R320Q PPI	~155	~310	sqDRIFT · Phase 3B	BQP Class B	—	○ Pending
STK11	LKB1 LOF SL	~152	~304	sqDRIFT · Phase 3B	BQP Class B	—	○ Pending
STK11	F354L Kinase LOF	~48 (local · near-term⚡)	~304	sqDRIFT · Phase 3B	BQP ★ Class A	—	○ Pending
STK11	D194N Kinase LOF	~152	~304	sqDRIFT · Phase 3B	BQP ★ Class A	—	○ Pending

★ C275F is the primary doctoral target — structural mutant at the classical FCI boundary. JW = Jordan-Wigner encoding. Load an NGS report to add patient-specific targets.

Live Results — Supabase Database (Real Runs)

Loading live results from Supabase...

Quality / Regulatory View

Compliance & Audit Trail

FDA 21 CFR Part 11 · Reproducibility Engine · Provenance Metadata

No simulation run yet — load an NGS report and run a VQE/sqDRIFT simulation to generate a compliance record.

Audit Trail — Full Run Log

No run completed yet — run a simulation to populate the audit trail.

P1–P9 Provenance Schema

Element	Description	Layer	Status
P1	Circuit fingerprint — ansatz type, gate count, depth, qubit map	QC Kernel	○ Pending
P2	Compilation lineage — transpiler version, SWAP overhead, native gate set	Hybrid	○ Pending
P3	Device & calibration — backend ID, calibration epoch, T1/T2/gate fidelity snapshot	QC Kernel	○ Pending
P4	Error budget snapshot — per-gate error rates at execution time	QC Kernel	○ Pending
P5	Raw outcome distribution — shot-level bitstring histogram before mitigation	QC Kernel	○ Pending
P6	Error-mitigation lineage — ZNE noise factors, Pauli twirling config, mitigation version	Hybrid	○ Pending
P7	Statistical estimator + 95% CI — mitigated energy, bootstrap interval, GNN-corrected value	Hybrid	○ Pending
P8	Cryptographic seal — SHA-256 hash chain P1→P2→…→P7+P9→P8 · tamper-evident seal	Governance	○ Pending
P9	ML-decoder lineage — Nvidia Ising 3D CNN model ID, weight checksum, training corpus hash, inference config (conditional: present when QEC uses a learned ML decoder)	Hybrid	○ Pending

Platform Qualification Record — System Validation Status (VP-2026-001)

IQ — Installation

NOT FORMALLY EXECUTED

◐ Software stack — running in production, not formally verified

◐ Hardware connectivity — exercised informally, not a controlled test

? Dependency versions — not checked

? Environment isolation — not tested

No IQ protocol executed or signed yet — scoped as part of the Regulatory Validation roadmap.

OQ — Operational

NOT FORMALLY EXECUTED

✓ VQE convergence — N₂ CAS(6,6)/cc-pVDZ reproduced to 0.00 mHa classically, 0.471 mHa on 12-qubit VQE

✓ Audit log integrity — append-only ledger, seals independently re-verifiable on demand

✗ ZNE error mitigation — not yet implemented (current hardware runs use a raw estimator)

? Backend failover — not tested

No OQ protocol executed or signed yet — scoped as part of the Regulatory Validation roadmap.

PQ — Performance

NOT STARTED

◑ Cross-backend reproducibility (Phase 3B)

In progress — first cross-backend evidence: canonical H2 measured on a classical statevector simulator and on real IBM Heron r2 hardware (ibm_marrakesh), agreeing to Δ 0.02 mHa. This is a moving-parts smoke test on H2, not a qualified scientific result; full PQ requires the funded runs on the actual mutation targets.

Platform: SOLANGE v0.9.2-alpha Validation lead: D. Cohen · doron.cohen@cgu.edu Protocol: VP-2026-001 Next review: 2026-05-01

IT / Security View

🛡 Admin Console

Platform access log · Simulation runs · User management

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Total Runs

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Users

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Mutations Run

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Last Run

Security Events — Denied Access Attempts

Overreach only — not a request log. Every row here is a 403 the platform already enforced; this is the record that it did.

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All Simulation Runs

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Provenance Audit Log

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User Profiles

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Executive View

Platform verified Reference data

Measured quantities only. Consumption is reported, not cost — the rate is your commercial term. Running on reference data, so results are not clinical findings; production runs use your own structures.

Nothing is stored unchecked

Every result is re-verified on arrival. Refusals and limits are recorded too.

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Quantum time used

From IBM's own billing figure — device time, not queue time.

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Your rate per QPU-second

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What this screen deliberately does not tell you

Shown as missing rather than estimated.

Time saved

Needs the same task run manually to compare against.

Decision quality

Not judgeable by the system that produced the result.

SOLANGE™

Clinical Target Dashboard

Orchestration Engine

Results & Benchmarking

Compliance & Audit Trail

Executive View