Services

Molecular dynamics, done with you or for you.

When you want a study done, a group trained, or someone to call, we can help.

What we offer

Studies run for you

For groups that need molecular dynamics done and have no one to run it: stability, binding, mutation effects, free energy along a coordinate. You get the report, the data and the full record behind them.

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Training for your group

Workshops that take a lab from its first study to its own campaigns, on its own systems and its own machines.

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Support

For labs that depend on molecular dynamics: help setting up their own machines and clusters, with studies that refuse, and with results that need a second pair of eyes.

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How an engagement works

Agreed on paper before anything runs.

You see exactly what will run before it runs, and you get the full record of what did.

  1. 01

    Talk

    What question the simulation has to answer, and what would count as an answer.

  2. 02

    Agree the Config

    The study is written down as a Config and agreed before any compute is spent.

  3. 03

    Run

    On MDXplora, with every setting recorded as it runs.

  4. 04

    Deliver

    The report, the data, and the Manifest recording what ran, on which versions, with which settings.