Molecular

Inputs in,spectra out

A front end for the chemistry packages, on a Fedora desktop of your own.Write the input here, and plot what the solver sent back.

Gabedit 2.5.22 cores · 4 GBOpens in a browser tab

hub://gabedit

$ dxflow workflow create --identity gabedit hub://gabedit --start --link

01Pick a machinecores, memory and a rate per hour

02Create the workflowpulled from the hub, once

03Run it, then stopstopped when the work is done

The application

One form,many packages

Gabedit writes the input file, and draws what the run returned.

Inputs it writes for you

Gaussian, ORCA, NWChem, MOPAC and more, from a form instead of by hand.

Orbitals and spectra

Densities, surfaces, IR and UV plots, drawn straight from the output files.

Beside the run

Inputs and results both sit on the volume, so the solver reads the same files.

How you run it

Every defaultis one override away

The session reads its settings from the environment, so you set them on the start line.

VNC_PASSWORDWhat the tab asks for. It ships as dxflow, and everyone reading this knows that.

PANEL and TASKBARBoth hidden, so the workspace has the whole screen. Show either one to get the desktop back.

AUDIOOff here. Turn it on and the desktop sound is streamed beside the picture.

start it your way

$ dxflow workflow start gabedit --override env.app.VNC_PASSWORD=something-long

$ dxflow workflow start gabedit --override env.app.TASKBAR=show --link

The session

The workspacefills the screen

Streamed to your browser, with Gabedit already maximized.

6082Browserin the tab, at /vnc.html

5901VNCin a native client

/volumeStorageyour files, kept between runs

Open it from anywhereStart with --link and the session comes back on an HTTPS address.

Set a password firstVNC_PASSWORD defaults to dxflow, and everyone can read this page.

Good to know

It writes the input,it does not solve it

Gabedit is a front end. The programs it prepares work for are not in this image.

Inputs out, results in

It builds decks for Gaussian, ORCA and NWChem, and plots the orbitals, densities and spectra those send back.

Bring your own engine

Nothing here computes a wavefunction. Point Gabedit at a package you run elsewhere, or beside it on the same volume.

The one on Fedora

Neither Void nor Ubuntu 26.04 packages Gabedit, so this is the hub's only entry on the Fedora desktop.

The image

Pulled once,then it stays

Gabedit arrives as one image. This is what comes down the first time, and what the disk should have free for it.

667Mamd64compressed, the way the registry counts it

633Marm64compressed, the way the registry counts it

20GOn diskunpacked, with room to work beside it

ghcr.io/dxflow-ai/gabedit:latestPublished from the hub, pulled on the first start and kept for the ones after it.

Either architectureamd64 and arm64 are both published, and the machine pulls the one it runs.

What it asks for

What it wants,and what it needs

The definition asks for 2 cores and 4 GB. The image comes up on less than that, and a start given --fit trims the ask to whatever the machine actually has.

2 cores · 4 GBAsks forwhat the definition writes down

2 cores · 2 GBRuns onthe least the image comes up on

Not neededGPUit works on the cores alone

The ask is not the floorThe definition writes down what suits the work. The image itself starts on less, which is what the second figure is.

--fit caps it to the hostA start given --fit trims each step to what the machine actually has, for that start alone. The definition is never rewritten.

Machines that fit it

Gabedit asks for 2 cores and 4 GB. Cheapest first.

E2 Medium

$0.042/ hour2 cores · 4 GBStart this machine

T3 Medium

$0.052/ hour2 cores · 4 GBStart this machine

B2s

$0.052/ hour2 cores · 4 GBStart this machine

Run Gabedit on your own machinePick a machine that meets it, and it opens about a minute after you ask.

Start Gabedit Browse workflows