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What it does today. And what it doesn't, yet.

The state of FoldEngine on 25 October 2026. This page follows the work in progress and changes with it: every result below has already been measured and recorded, failed tests included. Performance figures are not here: they are on the dashboard and in the registry, with their limits next to them.

Five parts, each with its own status.

FoldEngine is the app. Underneath are four engines, kept apart so that each one can be checked on its own.

Used for production runs

Nexus

Molecular dynamics on the Apple silicon GPU

Simulates proteins in explicit water, written in Metal. The same input given twice gives the same bits. Production runs use a frozen bundle, binary and kernels together, each with its sha256. A second program on the CPU recomputes its forces to check it; it does not yet redo a whole trajectory.

In the app

Bender

Folding, on your Mac

Predicts the structure of a protein from its sequence, on the Mac itself: the sequence does not leave the device. A predicted structure remains a prediction, to be checked before you rely on it.

Used for studies

Hypoform

Research you can verify

Takes a question through competing hypotheses to a prediction written in advance, then to the run and its review. Every package is deposited with the fingerprints of its files and passes a check before it starts. The claims ledger closes every day with a root that, since 25 October, you can query from here.

Under construction

Mecavolve

Protein–ligand poses

The engine that looks for how a small molecule sits on a protein. It is being built inside the research work and has no surface in the app yet. We will not say what it can do until it has a test behind it.

Testing on TestFlight

The app

Mac, iPhone and iPad

The Mac computes; iPhone and iPad follow the runs live through your private iCloud. No account, no ads, no tracking. It is not on the App Store yet. New features are tried with non-expert people before they ship.

Work in progress, failures included.

Every test has its prediction and its threshold, written in advance. Here is the result, including when the prediction fails. A test marked “not evaluated” has not passed: something needed to run it is missing, and we say what.

Holds

The headline figure, redone

The benchmark run behind the promoted figure was repeated: it comes back byte for byte. That means it is reproducible, not that it is faster or more correct.

Fails

The frozen engine, under the Metal validator

The SHAKE test the frozen engine runs at start-up reads outside its buffer twice: the prediction “no out-of-bounds access” fails, the prediction “the run is valid” passes. Whether it touches the bits of the runs is still to be worked out. Another SHAKE defect, which only distorted the residual printed at start-up, is fixed in the live source; the frozen bundles stay as they are.

Passes

The force bench

Seventeen checks on the engine's forces: 11 pass, none fail, 6 were not evaluated.

Holds

Energy, term by term

The sum of the drifts of each energy term matches the drift of the total, in all eight replicas and in four tests out of four. Limit: the total is the same sum of the same terms, so the test checks how the terms are recorded, not the physics.

Explained

A small difference, traced

The bonds of the test system were 0.18 kcal/mol away from the published files. Four competing hypotheses, each with the measurement that could knock it down: three fail, the fourth holds. The cause is the rounding of the coordinates to three decimals in the Protein Data Bank file.

Partly passes

Structure quality

A check that places a structure among a thousand experimental structures from the Protein Data Bank passes on chirality and atomic clashes. The tests on backbone angles and rotamers are not evaluated: the tool does not compute them yet.

Internal

An energy landscape map

On the alanine dipeptide the sampling and analysis tests pass; one is not evaluated, because a reference value to read at the source is missing. An erratum is written: a surface from an earlier version belonged to the D enantiomer. Until that test exists, the map remains an internal tool.

Fails

Grouping sequences

One criterion of the map that groups proteins by similarity fails on two pairs. It will be tried again after removing the purification tags from the sequences, with a new prediction.

Passes

A state moved from one Mac to another

A simulation state taken on an M4 Pro and resumed on an M2 reaches the same final file. This holds for this test; across GPU families identity is not assumed, it is compared.

Closed

Two deposits, verified on closing

Two completed studies were closed by re-reading the fingerprints of every signed file: in one, 180 fingerprints and no difference. From now on a new package does not start without first declaring how much computing it needs.

Fail

The suspected causes of idle energy use

The app used too much energy while idle. The two causes suspected first were innocent; the real one was a figure animated every second in the overview. With it removed, it was measured again, before and after, on the same build.

Halfway

A hundred features and fifty new ideas

A programme that screens a hundred features and fifty innovations. Of the thirteen features chosen first, all have taken their first step: six pass or hold, six fail as written, one is under review. The twelve innovations written up as specifications have taken their first step, and more than one has failed. The rest are waiting.

Every result has its deposited prediction, its commit and, where it changes a published figure, its erratum. The entries of the public registry carry only fingerprints and status; the texts of the claims stay inside the project.

What it could be used for.

Possible uses, not promises. For each: what exists today and what is missing.

  • Studying and teaching molecular dynamics on a Mac.Today: Nexus simulates a protein in water on the Mac's GPU, and iPhone and iPad follow the run. Missing: the app is not on the App Store yet, and new features are waiting for the test with non-expert people.
  • Redoing a result and checking it without trust.Today: every promoted figure carries digests and commands, and the registry can be queried. Missing: reproduction is shown on the machines and builds that were tested; a new chip has to be tested first.
  • Writing a prediction before the run.Today: Hypoform deposits the prediction with the fingerprints of its files before computing, and the ledger dates it. Missing: submission to an external preregistration registry is prepared, not done.
  • Predicting a structure without the sequence leaving the Mac.Today: Bender works on the device. Nothing is missing to do it, but it remains a prediction: check it independently before relying on it.
  • Checking the quality of a structure.Today: the comparison with a thousand experimental structures passes on chirality and clashes. Missing: backbone angles and rotamers; for now it is an internal tool.
  • Studying how a ligand binds a protein.Today: Mecavolve is under construction. Missing: a test. Until there is one, this is a direction, not a use.

FoldEngine is not a medical device, and its results can be wrong. Before trusting one, read what it does not do.