🗂️ FLUXMATERIA — PLATFORM

Every run. Every setting.
Every decision, captured.

Workspace is the organizational layer that makes FluxMateria reproducible. Projects, versioned runs, comparison views, signed decision packets — and an audit trail that survives team turnover and regulatory review.

Versioned runs Side-by-side comparison Signed decision packets Role-based access Re-runnable bit-for-bit
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Every run
Full input + config + output + model-version hash captured automatically
Any module
ADMET, BioTarget, Materials, Synthesis, Kinetics, MechanismOS — one lineage
Signed packs
Decision packets carry model hashes. Same pack → same numbers, later
Team-grade
Shared projects, role-based access, audit log for Team / Enterprise tiers
0
Hidden state · every prediction is re-runnable bit-for-bit
The breakthrough

Reproducibility is a first-class output.

Most prediction tools give you a number and a screenshot. Workspace gives you the number, the input that produced it, the model version that computed it, the comparison with the alternatives you considered, the reviewer who approved it, and a signed pack that rebuilds the whole decision from scratch — months or years later. The audit trail isn’t a bolt-on; it’s what every module writes to by default.

What Workspace adds

The organizational fabric that makes every FluxMateria prediction reviewable.

📂

Projects

Group runs, libraries, and decisions by campaign. Scope access, naming, and retention per project.

📋

Versioned runs

Every run captures full input + config + output + model-version hash. Rerun at any time to reproduce.

⚖️

Comparison views

Side-by-side candidate evaluation across modules — potency, ADMET, selectivity, cost on one grid.

📦

Decision packets

Self-contained, signed exports with full provenance. A reviewer re-running the pack gets identical outputs.

👥

Team collaboration

Shared workspaces with role-based access (Scientist / Analyst / OrgAdmin) for Team + Enterprise tiers.

🔍

Audit trail

Complete history of inputs, outputs, reviewers, and decision rationale. Append-only, queryable, exportable.

🔁

Pipelines

Chain module runs into reusable pipelines (SMILES → ADMET → docking → report) with one command.

💰

Usage ledger

Flux-Unit metering per module, per user, per project. Billing-ready, overage-safe, export-friendly.

A typical campaign

From first candidate to signed handoff in one versioned workspace.

1

Create project

Name, describe, scope access. Set retention policy and reviewer list.

2

Add candidates

Import molecules, materials, or reactions. Auto-dedupe against the project library.

3

Run predictions

Use any FluxMateria module. Every run lands in the project with full config captured.

4

Compare

Side-by-side view across ADMET / binding / synthesis / cost — rank, filter, annotate.

5

Decide

Mark selections with rationale. Reviewer sign-off is recorded to the audit log.

6

Export packet

Signed decision packet for handoff — self-contained, re-runnable, model-hash provenance.

Why you can trust it

Designed for teams whose outputs survive audits, handoffs, and regulatory review.

Versioned
Every run carries the model-version hash that produced it. Rebuild months later → identical output.
Append-only
Audit log cannot be modified in-place. Every edit, every sign-off, every rationale is preserved.
Signed packets
Decision packets carry signatures and model-hash provenance. Tamper-evident, reproducibility-first.
Role-based
Scientist / Analyst / BillingAdmin / OrgAdmin / SecurityAdmin / SystemAdmin. Least privilege by default.
Bit-for-bit
FluxMateria predictions are deterministic. Re-runs on the same pack return identical numbers.
Retention-aware
Per-project retention policies with deletion certificates for regulated workflows.

How FluxMateria compares

Workspace vs how most teams actually keep track of predictions today.

CapabilityWorkspaceShared spreadsheetsELN / LIMSNotebook archives
Auto-captured configEvery runManual pastePartialManual paste
Model-version hashAlwaysAbsentUsually absentUsually absent
Re-run reproducibilityBit-for-bitImpossiblePartialEnvironment drift
Side-by-side compareCross-modulePer-column onlyPer-assay onlyManual
Audit-grade trailAppend-onlyRevisions lostPer-sampleGit log at best
Role-based access6 rolesFile-level onlyModule-levelFile-level only
Signed decision packetOne clickNot supportedReports onlyNot supported
Usage meteringPer-module FUNoneLicense-seat onlyNone

The key insight: Prediction tools ship results. Workspace ships reviewable decisions. The difference shows up the first time a regulator asks “which model version, on which input, signed off by whom, on what date?” — or when a teammate leaves and someone has to pick up the thread six months later.

Where Workspace wins

Every team where reproducibility is non-negotiable.

Use case 1

Regulated workflows

FDA / EMA submissions, GxP environments, quality review cycles — signed packets, model-version hashes, append-only audit log.

Use case 2

Team handoff

A scientist leaves; the project continues. Every run is re-runnable from its Workspace entry. No lost institutional memory.

Use case 3

Portfolio review

Quarterly go / no-go reviews across campaigns. Decision packets make the rationale behind every call reproducible and defensible.

Use case 4

IP disclosure

Invention disclosures need the exact inputs + exact model versions that produced the numbers. Workspace captures both automatically.

Use case 5

Cost allocation

Flux-Unit metering per module, per user, per project. Clean chargeback to the right cost center, no manual reconciliation.

Use case 6

Pipeline automation

Chain modules into reusable pipelines (Discovery → ADMET → Docking → Report). Every step versioned, every output packaged.

Scope & Limitations

Strengths

  • Captures every FluxMateria run automatically — no manual logging, no drift.
  • Signed decision packets with model-version hashes: bit-for-bit reproducibility, months later.
  • Side-by-side comparison across ADMET / binding / materials / cost in one view.
  • Role-based access (6 roles) with append-only audit log for Team and Enterprise tiers.
  • Flux-Unit metering + retention policies ready for regulated and chargeback-driven environments.

Known limitations

  • Cross-org sharing requires an Enterprise contract; public pilot workspaces are single-org by default.
  • ELN / LIMS connectors ship as integrations on Enterprise tier — public pilot exports are decision-pack-first.
  • Workspace is an orchestration layer; the predictions themselves live in the FluxMateria modules.
  • Retention and deletion certificates are policy-driven: workspace enforces what the org configures, not a universal default.

Stop exporting screenshots. Start shipping decisions.

Pilot access includes Workspace, the full module stack, signed decision packets, and role-based access for your first team.

Request Pilot Access →